Sekijima Masakazu 関嶋政和

… Alternative Names

SEKIJIMA Masakazu 関嶋政和

Less

Researcher Number	80371053
Other IDs	https://orcid.org/0000-0002-3806-9535
Affiliation (Current)	2024: 東京科学大学, 情報理工学院, 准教授
Affiliation (based on the past Project Information) *help	2020 – 2024: 東京工業大学, 情報理工学院, 准教授 2016 – 2018: 東京工業大学, 科学技術創成研究院, 准教授 2012 – 2016: 東京工業大学, 学術国際情報センター, 准教授 2011 – 2013: 東京工業大学, 学内共同利用施設等, 准教授 2008: National Institute of Advanced Industrial Science and Technology, 生命情報工学研究センター, 研究員 2007: National Institute of Advanced Industrial Science and Technology, 生命情報工学研究センター, 研究員
Review Section/Research Field	Principal Investigator Transformative Research Areas, Section (II) / Medium-sized Section 62:Applied informatics and related fields / Life / Health / Medical informatics / Drug development chemistry / Bioinformatics/Life informatics Except Principal Investigator Bioinformatics/Life informatics / Intelligent informatics
Keywords	Principal Investigator ケモインフォマティクス / 機械学習 / バイオインフォマティクス / AI創薬 / IT創薬 / スーパーコンピュータ / 創薬 / 分子動力学シミュレーション / コンピュータシミュレーション / 寄生原虫 … More / 自動合成 / ロボット / 抗規制原虫薬 / 抗寄生原虫治療薬 / in vitroアッセイ / in silico創薬 / ハイパフォーマンス・コンピューティング / 量子化学計算 / 分子シミュレーション / スーパーコンピューティング / SDGs / 顧みられない熱帯病 / スマート創薬 / ドッキングシミュレーション / 生体生命情報学 / ハイパフォーマンスコンピューティング / フオールデイング / フォールディング / 隠れマルコフモデル / タンパク質 / 生命情報工学 … More Except Principal Investigator 分子シミュレーション / ハイパフォーマンス・コンピューティング / 薬学 / アルゴリズム / 生体生命情報学 / 三次構造 / 3次構造 / ab initioモデリング / 蛋白質 / 高分子 / 3次元構造予測 / サンプリング / max-sum / ポテンシャルエネルギー / MCMC / Max-Sumアルゴリズム / 因子グラフ / 立体構造 / タンパク質 Less

Development of Compound Generation Method Using a Conditional Variational Autoencoder with Skip ConnectionsPrincipal Investigator
- Principal Investigator
  
  関嶋政和
- Project Period (FY)
  2024 – 2025
- Research Category
  
  Grant-in-Aid for Transformative Research Areas (A)
- Review Section
  
  Transformative Research Areas, Section (II)
- Research Institution
  Tokyo Institute of Technology
in silicoとロボットによる創薬支援システムの開発とシャーガス病治療薬探索Principal Investigator
- Principal Investigator
  
  関嶋政和
- Project Period (FY)
  2020 – 2023
- Research Category
  
  Grant-in-Aid for Scientific Research (A)
- Review Section
  
  Medium-sized Section 62:Applied informatics and related fields
- Research Institution
  Tokyo Institute of Technology
In silico, in vitro, X-ray crystallography, and integrated strategies for discovering spermidine synthase inhibitors for Chagas diseasePrincipal Investigator
- Principal Investigator
  
  SEKIJIMA MASAKAZU
- Project Period (FY)
  2015 – 2018
- Research Category
  
  Grant-in-Aid for Scientific Research (B)
- Research Field
  
  Life / Health / Medical informatics
- Research Institution
  Tokyo Institute of Technology
Enhancement of drug discovery of NTDs based on in silico computer-based modeling technologiesPrincipal Investigator
- Principal Investigator
  
  SEKIJIMA MASAKAZU
- Project Period (FY)
  2013 – 2014
- Research Category
  
  Grant-in-Aid for Young Scientists (B)
- Research Field
  
  Drug development chemistry
- Research Institution
  Tokyo Institute of Technology
Computational drug discovery techniques with systematic target identification and high-performance molecular simulation
- Principal Investigator
  
  Akiyama Yutaka
- Project Period (FY)
  2012 – 2016
- Research Category
  
  Grant-in-Aid for Scientific Research (A)
- Research Field
  
  Bioinformatics/Life informatics
- Research Institution
  Tokyo Institute of Technology
Macromolecular Potential Energy Decoder Based on Graphical Model
- Principal Investigator
  
  SHINOZAKI Takahiro
- Project Period (FY)
  2011 – 2013
- Research Category
  
  Grant-in-Aid for Challenging Exploratory Research
- Research Field
  
  Intelligent informatics
- Research Institution
  Tokyo Institute of Technology
  Chiba University
Free Energy Landscape Analysis of Prion ProteinPrincipal Investigator
- Principal Investigator
  
  SEKIJIMA Masakazu
- Project Period (FY)
  2007 – 2008
- Research Category
  
  Grant-in-Aid for Young Scientists (B)
- Research Field
  
  Bioinformatics/Life informatics
- Research Institution
  National Institute of Advanced Industrial Science and Technology

[Journal Article] Statistical potentials for RNA-protein interactions optimized by CMA-ES2022
- Author(s)
  Kimura Takayuki、Yasuo Nobuaki、Sekijima Masakazu、Lustig Brooke
- Journal Title
  
  Journal of Molecular Graphics and Modelling
  
  Volume: 110 Pages: 108044-108044
- DOI
  10.1016/j.jmgm.2021.108044
- Peer Reviewed / Open Access / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-20H00620
[Journal Article] An Improved Model for Predicting Compound Retrosynthesizability Using Machine Learning2022
- Author(s)
  Ozawa Mami、Yasuo Nobuaki、Sekijima Masakazu
- Journal Title
  
  Proceedings of the 2022 IEEE 22nd International Conference on Bioinformatics and Bioengineering (BIBE)
  
  Volume: - Pages: 210-216
- DOI
  10.1109/bibe55377.2022.00052
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20H00620
[Journal Article] Dephospho-Coenzyme A Kinase Is an Exploitable Drug Target against Plasmodium falciparum: Identification of Selective Inhibitors by High-Throughput Screening of a Large Chemical Compound Library2022
- Author(s)
  Nurkanto Arif、Imamura Riyo、Rahmawati Yulia、Prabandari Erwahyuni Endang、Waluyo Danang、Annoura Takeshi、Yamamoto Kazuki、Sekijima Masakazu、Nishimura Yuki、Okabe Takayoshi、Shiba Tomoo、Shibata Norio、Kojima Hirotatsu、Duffy James、Nozaki Tomoyoshi
- Journal Title
  
  Antimicrobial Agents and Chemotherapy
  
  Volume: 66 Issue: 11
- DOI
  10.1128/aac.00420-22
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20H00620
[Journal Article] Toxicokinetic analysis of the anticoagulant rodenticides warfarin & diphacinone in Egyptian fruit bats (Rousettus aegyptiacus) as a comparative sensitivity assessment for Bonin fruit bats (Pteropus pselaphon)2022
- Author(s)
  Takeda Kazuki、Manago Kosuke、Morita Ayuko、Kawai Yusuke K.、Yasuo Nobuaki、Sekijima Masakazu、Ikenaka Yoshinori、Hashimoto Takuma、Minato Ryuichi、Oyamada Yusuke、Horikoshi Kazuo、Suzuki Hajime、Ishizuka Mayumi、Nakayama Shouta M.M.
- Journal Title
  
  Ecotoxicology and Environmental Safety
  
  Volume: 243 Pages: 113971-113971
- DOI
  10.1016/j.ecoenv.2022.113971
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20H00620, KAKENHI-PROJECT-21H04919, KAKENHI-PROJECT-21K14988
[Journal Article] Multidimensional analyses of the pathomechanism caused by the non-catalytic GNE variant, c.620A>T, in patients with GNE myopathy2022
- Author(s)
  Yoshioka Wakako、Iida Aritoshi、Sonehara Kyuto、Yamamoto Kazuki、Oya Yasushi、Mori-Yoshimura Madoka、Kurashige Takashi、Okubo Mariko、Ogawa Megumu、Matsuda Fumihiko、Higasa Koichiro、Hayashi Shinichiro、Nakamura Harumasa、Sekijima Masakazu、Okada Yukinori、Noguchi Satoru、Nishino Ichizo
- Journal Title
  
  Scientific Reports
  
  Volume: 12 Issue: 1 Pages: 21806-21806
- DOI
  10.1038/s41598-022-26419-0
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-21K06961, KAKENHI-PROJECT-20H00620, KAKENHI-PROJECT-23K21722
[Journal Article] Novel Calcium-Binding Ablating Mutations Induce Constitutive RET Activity and Drive Tumorigenesis2022
- Author(s)
  Tabata Junya、Nakaoku Takashi、Araki Mitsugu、Yoshino Ryunosuke、Kohsaka Shinji、Otsuka Ayaka、Ikegami Masachika、Ui Ayako、Kanno Shin-ichiro、Miyoshi Keiko、Matsumoto Shigeyuki、Sagae Yukari、Yasui Akira、Sekijima Masakazu、Mano Hiroyuki、Okuno Yasushi、Okamoto Aikou、Kohno Takashi
- Journal Title
  
  Cancer Research
  
  Volume: 82 Issue: 20 Pages: 3751-3762
- DOI
  10.1158/0008-5472.can-22-0834
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-20H00545, KAKENHI-PROJECT-20H00620, KAKENHI-PROJECT-21H02795
[Journal Article] Screening for Inhibitors of Main Protease in SARS-CoV-2: In Silico and In Vitro Approach Avoiding Peptidyl Secondary Amides2022
- Author(s)
  Yamamoto Kazuki Z.、Yasuo Nobuaki、Sekijima Masakazu
- Journal Title
  
  Journal of Chemical Information and Modeling
  
  Volume: 62 Issue: 2 Pages: 350-358
- DOI
  10.1021/acs.jcim.1c01087
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-20H00620
[Journal Article] Tuning of Bayesian optimization for materials synthesis: simulation of the one-dimensional case2022
- Author(s)
  Nakayama Ryo、Shimizu Ryota、Haga Taishi、Kimura Takefumi、Ando Yasunobu、Kobayashi Shigeru、Yasuo Nobuaki、Sekijima Masakazu、Hitosugi Taro
- Journal Title
  
  Science and Technology of Advanced Materials: Methods
  
  Volume: 2 Issue: 1 Pages: 119-128
- DOI
  10.1080/27660400.2022.2066489
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-22K14692, KAKENHI-PROJECT-20H00620
[Journal Article] Computer aided drug discovery review for infectious diseases with case study of anti-Chagas project2021
- Author(s)
  Yasuo Nobuaki、Ishida Takashi、Sekijima Masakazu
- Journal Title
  
  Parasitology International
  
  Volume: 83 Pages: 102366-102366
- DOI
  10.1016/j.parint.2021.102366
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-20H00620
[Journal Article] Tackling Covid‐19 using disordered‐to‐order transition of residues in the spike protein upon angiotensin‐converting enzyme 2 binding2021
- Author(s)
  Yesudhas Dhanusha、Srivastava Ambuj、Sekijima Masakazu、Gromiha M. Michael
- Journal Title
  
  Proteins: Structure, Function, and Bioinformatics
  
  Volume: 89 Issue: 9 Pages: 1158-1166
- DOI
  10.1002/prot.26088
- Peer Reviewed / Open Access / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-20H00620
[Journal Article] Biochemical Studies of Mitochondrial Malate: Quinone Oxidoreductase from Toxoplasma gondii2021
- Author(s)
  Acharjee Rajib、Talaam Keith、Hartuti Endah、Matsuo Yuichi、Sakura Takaya、Gloria Bundutidi、Hidano Shinya、Kido Yasutoshi、Mori Mihoko、Shiomi Kazuro、Sekijima Masakazu、Nozaki Tomoyoshi、Umeda Kousuke、Nishikawa Yoshifumi、Hamano Shinjiro、Kita Kiyoshi、Inaoka Daniel
- Journal Title
  
  International Journal of Molecular Sciences
  
  Volume: 22 Issue: 15 Pages: 7830-7830
- DOI
  10.3390/ijms22157830
- Peer Reviewed / Open Access / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-19K07523, KAKENHI-PROJECT-18KK0454, KAKENHI-PROJECT-20H00620, KAKENHI-PROJECT-19H03436
[Journal Article] Effect of charged mutation on aggregation of a pentapeptide: Insights from molecular dynamics simulations2021
- Author(s)
  Prabakaran R.、Rawat Puneet、Yasuo Nobuaki、Sekijima Masakazu、Kumar Sandeep、Gromiha M. Michael
- Journal Title
  
  Proteins: Structure, Function, and Bioinformatics
  
  Volume: 90 Issue: 2 Pages: 405-417
- DOI
  10.1002/prot.26230
- Peer Reviewed / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-20H00620
[Journal Article] MERMAID: an open source automated hit-to-lead method based on deep reinforcement learning2021
- Author(s)
  Erikawa Daiki、Yasuo Nobuaki、Sekijima Masakazu
- Journal Title
  
  Journal of Cheminformatics
  
  Volume: 13 Issue: 1
- DOI
  10.1186/s13321-021-00572-6
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-20H00620
[Journal Article] Identification of key interactions between SARS-CoV-2 main protease and inhibitor drug candidates2020
- Author(s)
  Yoshino Ryunosuke、Yasuo Nobuaki、Sekijima Masakazu
- Journal Title
  
  Scientific Reports
  
  Volume: 10 Issue: 1
- DOI
  10.1038/s41598-020-69337-9
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-20H00620
[Journal Article] Improved Method of Structure-Based Virtual Screening via Interaction-Energy-Based Learning2019
- Author(s)
  Yasuo Nobuaki、Sekijima Masakazu
- Journal Title
  
  Journal of Chemical Information and Modeling
  
  Volume: 59 Issue: 3 Pages: 1050-1061
- DOI
  10.1021/acs.jcim.8b00673
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-15H02776, KAKENHI-PROJECT-16J09021
[Journal Article] Exploring the selectivity of inhibitor complexes with Bcl-2 and Bcl-XL: A molecular dynamics simulation approach2018
- Author(s)
  Wakui Naoki、Yoshino Ryunosuke、Yasuo Nobuaki、Ohue Masahito、Sekijima Masakazu
- Journal Title
  
  Journal of Molecular Graphics and Modelling
  
  Volume: 79 Pages: 166-174
- DOI
  10.1016/j.jmgm.2017.11.011
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-15H02776, KAKENHI-PROJECT-17H01814, KAKENHI-PROJECT-16J09021, KAKENHI-PROJECT-15K16081
[Journal Article] Predicting Strategies for Lead Optimization via Learning to Rank2018
- Author(s)
  Yasuo Nobuaki、Watanabe Keisuke、Hara Hideto、Rikimaru Kentaro、Sekijima Masakazu
- Journal Title
  
  IPSJ Transactions on Bioinformatics
  
  Volume: 11 Issue: 0 Pages: 41-47
- DOI
  10.2197/ipsjtbio.11.41
- NAID
  130007528710
- ISSN
  1882-6679
- Language
  English
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-15H02776, KAKENHI-PROJECT-16J09021
[Journal Article] CoDe-DTI: Collaborative Deep Learning-based Drug-Target Interaction Prediction2018
- Author(s)
  Yasuo Nobuaki、Nakashima Yusuke、Sekijima Masakazu
- Journal Title
  
  Proceedings of 2018 IEEE International Conference on Bioinformatics & Biomedicine
  
  Volume: － Pages: 792-797
- DOI
  10.1109/bibm.2018.8621368
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-15H02776, KAKENHI-PROJECT-16J09021
[Journal Article] Compound property enhancement by virtual compound synthesis2018
- Author(s)
  Arai Naoki、Yoshikawa Shunsuke、Yasuo Nobuaki、Yoshino Ryunosuke、Sekijima Masakazu
- Journal Title
  
  Journal of Bioinformatics and Computational Biology
  
  Volume: 16 Issue: 03 Pages: 1840016-1840016
- DOI
  10.1142/s0219720018400164
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-18K18150, KAKENHI-PROJECT-15H02776, KAKENHI-PROJECT-16J09021
[Journal Article] An iterative compound screening contest method for identifying target protein inhibitors using the tyrosine-protein kinase Yes2017
- Author(s)
  Shuntaro Chiba, 他30名（George Chikenji は16番目の著者）
- Journal Title
  
  Scientific Reports
  
  Volume: 7 Issue: 1 Pages: 1-13
- DOI
  10.1038/s41598-017-10275-4
- Peer Reviewed / Open Access / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-16K07315, KAKENHI-PROJECT-15H02776, KAKENHI-PROJECT-17H01814, KAKENHI-PROJECT-16J09021, KAKENHI-PROJECT-17J06897
[Journal Article] In silico, in vitro, X-ray crystallography, and integrated strategies for discovering spermidine synthase inhibitors for Chagas disease2017
- Author(s)
  Yoshino Ryunosuke、Yasuo Nobuaki、Hagiwara Yohsuke、Ishida Takashi、Inaoka Daniel Ken、Amano Yasushi、Tateishi Yukihiro、Ohno Kazuki、Namatame Ichiji、Niimi Tatsuya、Orita Masaya、Kita Kiyoshi、Akiyama Yutaka、Sekijima Masakazu
- Journal Title
  
  Scientific Reports
  
  Volume: 7 Issue: 1 Pages: 1-9
- DOI
  10.1038/s41598-017-06411-9
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-15H02776, KAKENHI-PROJECT-17H01814, KAKENHI-PROJECT-16J09021, KAKENHI-PROJECT-15K16082, KAKENHI-PROJECT-16K19114
[Journal Article] Identification of type I and type II inhibitors of c-Yes kinase using in silico and experimental techniques2017
- Author(s)
  Ramakrishnan Chandrasekaran、Mary Thangakani Anthony、Velmurugan Devadasan、Anantha Krishnan Dhanabalan、Sekijima Masakazu、Akiyama Yutaka、Gromiha M. Michael
- Journal Title
  
  Journal of Biomolecular Structure and Dynamics
  
  Volume: 36 Issue: 6 Pages: 1566-1576
- DOI
  10.1080/07391102.2017.1329098
- Peer Reviewed / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-15H02776, KAKENHI-PROJECT-17H01814
[Journal Article] Open innovation drug discovery : Identification of potential inhibitors based on compound proposal contest2016
- Author(s)
  関嶋政和
- Journal Title
  
  Journal of Information Processing and Management
  
  Volume: 58 Issue: 12 Pages: 900-907
- DOI
  10.1241/johokanri.58.900
- NAID
  130005131231
- ISSN
  0021-7298, 1347-1597
- Language
  Japanese
- Open Access
- Data Source
  KAKENHI-PROJECT-15H02776
[Journal Article] Application for evaluating and visualizing the sequence conservation of ligand-binding sites2015
- Author(s)
  N. Yasuo and M. Sekijima
- Journal Title
  
  IPSJ Transaction on Bioinformatics
  
  Volume: 未定
- NAID
  130005087634
- Peer Reviewed / Acknowledgement Compliant / Open Access
- Data Source
  KAKENHI-PROJECT-24240044
[Journal Article] Application for evaluating and visualizing the sequence conservation of ligand-binding sites2015
- Author(s)
  N. Yasuo and M. Sekijima
- Journal Title
  
  IPSJ Transaction on Bioinformatics
  
  Volume: 8
- NAID
  130005087634
- Peer Reviewed / Acknowledgement Compliant / Open Access
- Data Source
  KAKENHI-PROJECT-25870222
[Journal Article] Structure based approach for understanding organism specific recognition of protein-RNA complexes2015
- Author(s)
  R. Nagarajan, S. Pankaj Chothani, C. Ramakrishnan, M. Sekijima, and M. M. Gromiha
- Journal Title
  
  Biology Direct
  
  Volume: 10(8) Issue: 1 Pages: 1-13
- DOI
  10.1186/s13062-015-0039-8
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-24240044, KAKENHI-PROJECT-25870222
[Journal Article] Identification of potential inhibitors based on compound proposal contest: Tyrosine-protein kinase Yes as a target2015
- Author(s)
  Chiba S, Akiyama Y, Sekijima M.
- Journal Title
  
  Scientific Reports
  
  Volume: 5 Issue: 1 Pages: 1-13
- DOI
  10.1038/srep17209
- Peer Reviewed / Open Access / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-24240044, KAKENHI-PROJECT-15H02776, KAKENHI-PROJECT-15J11261, KAKENHI-PROJECT-25430186, KAKENHI-PROJECT-26730152, KAKENHI-PUBLICLY-26120528
[Journal Article] 2.Pharmacophore Modeling for Anti-Chagas Drug Design Using the Fragment Molecular Orbital Method2015
- Author(s)
  Yoshino R, Yasuo N, Inaoka DK, Hagiwara Y, Ohno K, Orita M, Inoue M, Shiba T, Harada S, Honma T, Balogun EO, da Rocha JR, Montanari CA, Kita K, Sekijima M
- Journal Title
  
  PLoS One
  
  Volume: 10 Issue: 5 Pages: 1-15
- DOI
  10.1371/journal.pone.0125829
- Peer Reviewed / Open Access / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-26440027, KAKENHI-PROJECT-24240044, KAKENHI-PROJECT-26253003, KAKENHI-PROJECT-26253025, KAKENHI-PROJECT-15H02776, KAKENHI-PROJECT-26870119
[Journal Article] Molecular mechanisms underlying oseltamivir resistance mediated by an I117V substitution in the NA of H5N1 avian influenza viruses2013
- Author(s)
  Takano R, Kiso M, Igarashi M, Le QM, Sekijima M, Ito K, Takada A, Kawaoka Y
- Journal Title
  
  J Infect Dis
  
  Volume: 207 Issue: 1 Pages: 89-97
- DOI
  10.1093/infdis/jis633
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23780305, KAKENHI-PROJECT-24240044
[Journal Article] Accelerating quantum chemistry calculations with graphical processing units - toward in high-density (HD) silico drug discovery2013
- Author(s)
  Hagiwara Y , Ohno K , Orita M , Koga R , Endo T , Akiyama Y , Sekijima M.
- Journal Title
  
  Curr Comput Aided Drug Des. 2013
  
  Volume: Vol. 9, No. 3, Pages: 396-401
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-24240044
[Journal Article] Database of the clinical phenotypes, genotypes, and mutant arylsulfatase B structures in mucopolysaccharidosis type VI2012
- Author(s)
  Saito S, et al
- Journal Title
  
  J.Hum.Genet.
  
  Volume: 57 Issue: 4 Pages: 280-282
- DOI
  10.1038/jhg.2012.6
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21390314, KAKENHI-PROJECT-22790173, KAKENHI-PROJECT-23659527, KAKENHI-PROJECT-24240044, KAKENHI-PROJECT-24590218
[Journal Article] Distance-based Factor Graph Linearization and Sampled Max-sum Algorithm for Efficient 3D Potential Decoding of Macromolecules2011
- Author(s)
  Takahiro Shinozaki, Toshinao Iwaki, Shiqiao Du, Masakazu Sekijima and Sadaoki Furui
- Journal Title
  
  IPSJ Transaction on Bioinformatics
  
  Volume: Vol. 4 Pages: 34-44
- NAID
  130001288766
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23650068
[Journal Article] Distance-based Factor Graph Linearization and Sampled Max-sum Algorithm for Efficient 3D Potential Decoding of Macromolecules2011
- Author(s)
  Takahiro Shinozaki, Toshinao Iwaki, Shiqiao Du, Masakazu Sekijima, Sadaoki Furui
- Journal Title
  
  IPSJ Transaction on Bioinformatics
  
  Volume: 4 Pages: 34-44
- NAID
  130001288766
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23650068
[Journal Article] State transition probability analysis of protein folding based on large scale molecular dynamics simulation2008
- Author(s)
  S. Tokunaga, K.Ikeda, S. Honda, Y. Sawada, Y. Muraoka,T. Noguchi, M. Sekijima
- Journal Title
  
  In Proceedingsof the 17th IASTED International Conference on Applied Simulation and Modelling (ASM2008)
  
  Pages: 164-169
- Data Source
  KAKENHI-PROJECT-19700279
[Journal Article] Optimization and Evaluation of Parallel Molecular Dynamics Simulation on Blue Gene/L2007
- Author(s)
  M. Sekijima, J. Doi, T. Noguchi, and S. Shimizu
- Journal Title
  
  In Proceedingsof the IASTED International Conference on Parallel and Distributed Computer and Networks (PDCN2007)
  
  Pages: 257-262
- Data Source
  KAKENHI-PROJECT-19700279
[Journal Article] High-Density Surface Reconstruction of Fine Arts and Documents for Complete Reproduction and Counterfeit Detection2007
- Author(s)
  J. Doi, K. Shimizu, and M. Sekijima
- Journal Title
  
  In Proceedings of the 2007 IEEE International Conference on Networking, Sensing and Control (ICNSC2007)
  
  Pages: 392-397
- Data Source
  KAKENHI-PROJECT-19700279
[Journal Article] Dvelopment of SVM based Prediction System for Metalbinding Sites in Protein2007
- Author(s)
  M. Nakazawa, M. Takata, K. Yokota, T. Noguchi, M. Sekijima, and K. Joe
- Journal Title
  
  In Proceedings of the International Conference on Parallel and Distributed Processing Techniques and Applications (PDPTA 2007)
  
  Pages: 972-978
- Data Source
  KAKENHI-PROJECT-19700279
[Journal Article] Development of Molecular Dynamics Simulation based Flexible Docking System2007
- Author(s)
  S. Kimura, M. Sekijima, M. Takata, T. Noguchi, and K. Joe
- Journal Title
  
  In Proceedings of the 2007 International Conference on Parallel and Distributed Processing Techniques and Applications (PDPTA 2007)
  
  Pages: 739-745
- Data Source
  KAKENHI-PROJECT-19700279
[Journal Article] Optimization of Molecular Dynamics Simulation on Cell Processor2007
- Author(s)
  M. Sasaki, M. Sekijima, M. Takata, and K. Joe
- Journal Title
  
  In Proceedings of the 2007 International Conference on Parallel and Distributed Processing Techniques and Applications (PDPTA 2007)
  
  Pages: 780-786
- NAID
  110006345455
- Data Source
  KAKENHI-PROJECT-19700279
[Journal Article] Free Energy Landscape Analysis System based on Parallel Molecular Dynamics Simulation2007
- Author(s)
  M.Sekijima, et. al.
- Journal Title
  
  IPSJ Transaction on Bioznformatics Vol.48 No.SIG17(TBIO3)
  
  Pages: 30-39
- NAID
  110006453191
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19700279
[Journal Article] Free Energy Landscape Analysis System based on Parallel Molecular Dynamics Simulation2007
- Author(s)
  M. Sekijima, J. Doi, S. Honda, T. Noguchi, and S. Shimizu, and Y. Akiyama
- Journal Title
  
  IPSJ Transaction on Bioinformatics, Vol.48 No.SIG17(TBIO3)
  
  Pages: 30-39
- NAID
  110006453191
- Data Source
  KAKENHI-PROJECT-19700279
[Journal Article] Large Scale Computing for Protein-Protein Binding Free Energy Calculation
- Author(s)
  J. Ikeda, K. Ohno, S. Akioka, M. Orita, Y. Muraoka, T. Noguchi, M. Sekijima
- Journal Title
  
  In Proceedings of the 2008 International Conference on Parallel and Distributed Processing Techniques and Applications (PDPTA 2008)
  
  Pages: 771-775
- Data Source
  KAKENHI-PROJECT-19700279
[Journal Article] Crystal Structure of a Ten-Amino Acid Protein
- Author(s)
  S. Honda, T. Akiba, Y. Kato, Y. Sawada, M. Sekijima, M. Ishimura, A. Ooishi, H. Watanabe, T. Odahara, H. Kazuaki
- Journal Title
  
  Journal of the American Chemical Society (accepted)
- Data Source
  KAKENHI-PROJECT-19700279
[Presentation] Transformerを用いたグラフ翻訳による分子最適化手法の開発2023
- Author(s)
  牧野峻也, 安尾信明, 関嶋政和
- Organizer
  情報処理学会第85回全国大会
- Data Source
  KAKENHI-PROJECT-20H00620
[Presentation] パレート最適化を用いた多目的最適なde novo分子生成2023
- Author(s)
  鈴木敬将, Ma Dian, 中村彰悟, 安尾信明, 関嶋政和
- Organizer
  日本薬学会第143年会
- Data Source
  KAKENHI-PROJECT-20H00620
[Presentation] パレート最適化MCTSを用いたde novo分子生成手法の開発2023
- Author(s)
  鈴木敬将, 安尾信明, 関嶋政和
- Organizer
  情報処理学会第85回全国大会
- Data Source
  KAKENHI-PROJECT-20H00620
[Presentation] タンパク質のリガンド結合部位の特徴量化手法の改善に関する研究2023
- Author(s)
  塩澤理紗, 安尾信明, 関嶋政和
- Organizer
  情報処理学会第85回全国大会
- Data Source
  KAKENHI-PROJECT-20H00620
[Presentation] 機械学習によるタンパク質のアポ構造からホロ構造の予測手法の開発2022
- Author(s)
  李明曄, 安尾信明, 関嶋政和
- Organizer
  情報処理学会第69回バイオ研究発表会
- Data Source
  KAKENHI-PROJECT-20H00620
[Presentation] 機械学習による化合物の逆合成解析可能性予測手法の開発2022
- Author(s)
  小澤真実, 安尾信明, 関嶋政和
- Organizer
  情報処理学会第69回バイオ研究発表会
- Data Source
  KAKENHI-PROJECT-20H00620
[Presentation] 深層強化学習による任意の分子を出発点とした分子最適化手法の開発2022
- Author(s)
  恵利川大樹，安尾信明，関嶋政和
- Organizer
  情報処理学会第84回全国大会
- Data Source
  KAKENHI-PROJECT-20H00620
[Presentation] Hit Identification for SARS-CoV-2 Main Protease Using Convolutional Neural Network2022
- Author(s)
  Nobuyuki Yasuo, Hiroshi Yoda, Masakazu Sekijima
- Organizer
  CBI学会2022年大会
- Data Source
  KAKENHI-PROJECT-20H00620
[Presentation] Prediction of Protein Binding Region on RNA with Transformer and Attention Augmentation2022
- Author(s)
  Takayuki Kimura, Nobuyuki Yasuo, Masakazu Sekijima
- Organizer
  CBI学会2022年大会
- Data Source
  KAKENHI-PROJECT-20H00620
[Presentation] Prediction of Chemical Reaction Type with Hierarchical Graph Neural Networks2022
- Author(s)
  Tatsuya Ishimoto, Nobuyuki Yasuo, Masakazu Sekijima
- Organizer
  CBI学会2022年大会
- Data Source
  KAKENHI-PROJECT-20H00620
[Presentation] In Silico and In Vitro Screening for Inhibitors of SARSCoV-2 Main Protease Avoiding Peptidyl Secondary Amides2022
- Author(s)
  Kazuki Yamamoto, Nobuyuki Yasuo, Masakazu Sekijima
- Organizer
  CBI学会2022年大会
- Data Source
  KAKENHI-PROJECT-20H00620
[Presentation] An Enhanced Machine Learning Models for Predicting Retrosynthesis Accessibility2022
- Author(s)
  Mami Ozawa, Nobuyuki Yasuo, Masakazu Sekijima
- Organizer
  CBI学会2022年大会
- Data Source
  KAKENHI-PROJECT-20H00620
[Presentation] Multi-Objective Molecular Optimization Using Monte Carlo Tree Search2022
- Author(s)
  Suzuki Takamasa, Ma Dian, Nobuyuki Yasuo, Masakazu Sekijima
- Organizer
  CBI学会2022年大会
- Data Source
  KAKENHI-PROJECT-20H00620
[Presentation] In silico drug design by Molecular Generative Model and Docking2022
- Author(s)
  Dian Ma, 安尾信明, 関嶋政和
- Organizer
  情報処理学会第69回バイオ研究発表会
- Data Source
  KAKENHI-PROJECT-20H00620
[Presentation] 任意の分子を出発点とするグラフベースの分子最適化手法の開発2022
- Author(s)
  恵利川大樹, 安尾信明, 関嶋政和
- Organizer
  情報処理学会第69回バイオ研究発表会
- Data Source
  KAKENHI-PROJECT-20H00620
[Presentation] 機械学習を用いた蛋白質のリガンド結合部位の形状を考慮した化合物の生成手法の開発2022
- Author(s)
  村田翔太朗，安尾信明，関嶋政和
- Organizer
  情報処理学会第84回全国大会
- Data Source
  KAKENHI-PROJECT-20H00620
[Presentation] Molecular Optimization by Graph Generative Model using Transformers2022
- Author(s)
  Shunya Makino, Nobuyuki Yasuo, Masakazu Sekijima
- Organizer
  CBI学会2022年大会
- Data Source
  KAKENHI-PROJECT-20H00620
[Presentation] 機械学習を用いた化合物の最適化と創薬への応用2022
- Author(s)
  関嶋政和
- Organizer
  日本薬学会第143年会
- Data Source
  KAKENHI-PROJECT-20H00620
[Presentation] 新薬研究・開発における人工知能の適用と高度化2021
- Author(s)
  関嶋政和
- Organizer
  日本薬学会第141回年会
- Data Source
  KAKENHI-PROJECT-20H00620
[Presentation] Generation of derivative for small organic compound via Monte Carlo Tree Search2020
- Author(s)
  Daiki Erikawa, Nobuaki Yasuo and Masakazu Sekijima
- Organizer
  第９回生命医薬情報学連合大会（IIBMP2020）
- Data Source
  KAKENHI-PROJECT-20H00620
[Presentation] Augmented Realityによる創薬のためのタンパク質・リガンド可視化システムの開発2020
- Author(s)
  小山敦史 , 川田信吾 , 坂本亘 , 安尾信明 , 関嶋政和
- Organizer
  情報処理学会研究報告数理モデル化と問題解決（MPS）,2020-MPS-129(7),1-4 (2020-07-20)
- Data Source
  KAKENHI-PROJECT-20H00620
[Presentation] COVID-19と将来の感染症に向き合うシミュレーションと機械学習基盤2020
- Author(s)
  関嶋政和
- Organizer
  第9回生命医薬情報学連合大会 (IIBMP2020)
- Data Source
  KAKENHI-PROJECT-20H00620
[Presentation] リゾリン脂質の疎水性部は膜受容体結合時にどこに位置するか2019
- Author(s)
  佐山美紗, 上水明治, 井上飛鳥, 青木淳賢, 関嶋政和, 尾谷優子, 大和田智彦
- Organizer
  日本薬学会第139年会
- Data Source
  KAKENHI-PROJECT-15H02776
[Presentation] Mixed Realityを用いたタンパク質・リガンド立体構造可視化による医薬品設計支援システムの開発2019
- Author(s)
  小山敦史, 安尾信明, 関嶋政和
- Organizer
  日本薬学会第139年会
- Data Source
  KAKENHI-PROJECT-15H02776
[Presentation] ディープラーニングを用いたタンパク質 - リガンド結合予測手法の開発2019
- Author(s)
  依田洸, 安尾信明, 関嶋政和
- Organizer
  日本薬学会第139年会
- Data Source
  KAKENHI-PROJECT-15H02776
[Presentation] A Concept of Automated Lead Optimization Method by Compound Property Enhancement and Learning to Rank2018
- Author(s)
  N. Yasuo, K. Watanabe, N. Arai,H. Hara, K. Rikimaru, M. Sekijima
- Organizer
  CBI学会2018年大会
- Data Source
  KAKENHI-PROJECT-15H02776
[Presentation] 脂質リガンドの GPCR への結合機構の解明のための誘導体合成と計算科学の融合研究2018
- Author(s)
  佐山美紗，井上飛鳥，青木淳賢，広川貴次，関嶋政和，尾谷優子，大和田智彦
- Organizer
  日本薬学会第138年会
- Data Source
  KAKENHI-PROJECT-15H02776
[Presentation] Mixed Realityを用いた蛋白質・リガンドの三次元可視化による創薬支援システムの開発2018
- Author(s)
  小山敦史, 安尾信明, 関嶋政和
- Organizer
  生命医薬情報学連合大会2018年大会(IIBMP2018)
- Data Source
  KAKENHI-PROJECT-15H02776
[Presentation] Web-based systems to build virtual compound libraries with specified direction2018
- Author(s)
  Nobuaki Yasuo, Naoki Arai, Shunsuke Yoshikawa, Ryunosuke Yoshino, Masakazu Sekijima
- Organizer
  Biophysical society 62nd annual meeting
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-15H02776
[Presentation] Development of Mixed Reality-based Protein and Ligand Tertiary Structure Visualization System2018
- Author(s)
  小山敦史, 安尾信明, 関嶋政和
- Organizer
  CBI学会2018年大会
- Data Source
  KAKENHI-PROJECT-15H02776
[Presentation] Random forestを用いたドッキング構造の学習によるバーチャルスクリーニングのポスト処理2017
- Author(s)
  安尾信明，関嶋政和
- Organizer
  情報処理学会第79回全国大会
- Place of Presentation
  名古屋大学
- Data Source
  KAKENHI-PROJECT-15H02776
[Presentation] スーパーコンピューティング、AI、Mixed Ralityによる創薬基盤の開発とスマート創薬への応用」第6２回構造生物応用研究会2017
- Author(s)
  関嶋政和
- Organizer
  第6２回構造生物応用研究会
- Invited
- Data Source
  KAKENHI-PROJECT-15H02776
[Presentation] 機械学習を用いた化合物合成経路の予測2017
- Author(s)
  渡辺敬介,　安尾信明,　新井直樹, 関嶋政和
- Organizer
  日本薬学会第137年会
- Place of Presentation
  仙台国際センター
- Data Source
  KAKENHI-PROJECT-24240044
[Presentation] Exploring the selectivity of inhibitor complexes with Bcl-2 and Bcl-XL: a molecular dynamics simulation approach2017
- Author(s)
  Naoki Wakui, Ryunosuke Yoshino, Nobuaki Yasuo, Masahito Ohue and Masakazu Sekijima
- Organizer
  第6回生命医薬情報学連合大会(IIBMP 2017)
- Data Source
  KAKENHI-PROJECT-15H02776
[Presentation] スマート創薬に期待されるGPUによる高速化2017
- Author(s)
  関嶋政和
- Organizer
  CBI 学会2017年大会
- Invited
- Data Source
  KAKENHI-PROJECT-15H02776
[Presentation] スマート創薬がAIと共に語りたい明日2017
- Author(s)
  関嶋政和
- Organizer
  人工知能学会第104回人工知能基本問題研究会
- Invited
- Data Source
  KAKENHI-PROJECT-15H02776
[Presentation] ドッキング構造の機械学習を用いた高精度なバーチャルスクリーニング手法の開発2017
- Author(s)
  安尾信明, 関嶋政和
- Organizer
  日本薬学会第137年会
- Place of Presentation
  仙台国際センター
- Data Source
  KAKENHI-PROJECT-15H02776
[Presentation] スマート創薬の為の基盤環境整備と応用2017
- Author(s)
  関嶋政和
- Organizer
  第6回生命医薬情報学連合大会(IIBMP 2017)
- Invited
- Data Source
  KAKENHI-PROJECT-15H02776
[Presentation] 機械学習を用いた化合物合成経路の予測2017
- Author(s)
  渡辺敬介,　安尾信明,　新井直樹, 関嶋政和
- Organizer
  日本薬学会第137年会
- Place of Presentation
  仙台国際センター
- Data Source
  KAKENHI-PROJECT-15H02776
[Presentation] インシリコスクリーニング技術を用いた抗シャーガス病の治療薬探索2017
- Author(s)
  吉野龍ノ介 , 安尾信明 , 萩原陽介 , 石田貴士 , 稲岡健 , 天野靖士 , 立石幸寛 , 大野一樹 , 生田目一寿 , 新美達也 , 折田正弥 , 北潔 , 秋山泰 , 関嶋政和
- Organizer
  第52回情報処理学会バイオ情報学研究会
- Data Source
  KAKENHI-PROJECT-15H02776
[Presentation] Mixed Realityを用いたタンパク質構造描画システムの開発2017
- Author(s)
  坂本　亘，関嶋政和
- Organizer
  情報処理学会第79回全国大会
- Place of Presentation
  名古屋大学
- Data Source
  KAKENHI-PROJECT-15H02776
[Presentation] 機械学習を用いた創薬におけるリード化合物最適化経路の予測2017
- Author(s)
  安尾信明 , 渡辺敬介 , 新井直樹 , 関嶋政和
- Organizer
  第50回情報処理学会バイオ情報学研究会
- Data Source
  KAKENHI-PROJECT-15H02776
[Presentation] ドッキング構造の機械学習を用いた高精度なバーチャルスクリーニング手法の開発2017
- Author(s)
  安尾信明, 関嶋政和
- Organizer
  日本薬学会第137年会
- Place of Presentation
  仙台国際センター
- Data Source
  KAKENHI-PROJECT-24240044
[Presentation] ランク学習を用いた創薬における化合物合成経路予測2017
- Author(s)
  渡辺敬介，安尾信明，新井直樹，関嶋政和
- Organizer
  情報処理学会第79回全国大会
- Place of Presentation
  名古屋大学
- Data Source
  KAKENHI-PROJECT-15H02776
[Presentation] Mixed Realityによる創薬支援システムの開発と応用2017
- Author(s)
  坂本亘，関嶋政和
- Organizer
  第50回情報処理学会バイオ情報学研究会
- Data Source
  KAKENHI-PROJECT-15H02776
[Presentation] Postprocessing protein-ligand docking based on the distance among interaction energy vectors2016
- Author(s)
  安尾信明，関嶋政和
- Organizer
  CBI学会2016年大会
- Place of Presentation
  タワーホール船堀
- Year and Date
  2016-10-25
- Data Source
  KAKENHI-PROJECT-15H02776
[Presentation] Drug repositioning for Chagas disease by docking simulation and in vitro assay2016
- Author(s)
  吉野龍ノ介, 安尾信明, 黒田浩正, 関嶋政和
- Organizer
  CBI学会2016年大会
- Place of Presentation
  タワーホール船堀
- Year and Date
  2016-10-25
- Data Source
  KAKENHI-PROJECT-15H02776
[Presentation] 方向性を持たせたグラフ構造変換による仮想化合物ライブラリの構築の研究2015
- Author(s)
  吉川舜亮, 安尾信明, 吉野龍ノ介, 関嶋政和
- Organizer
  情報処理学会　第41回バイオ情報学研究会
- Place of Presentation
  北海道大学
- Year and Date
  2015-03-20
- Data Source
  KAKENHI-PROJECT-24240044
[Presentation] オープンイノベーションコンテストによるIT創薬2015
- Author(s)
  千葉峻太朗，池田和由，石田貴士，大野一樹，関嶋政和
- Organizer
  情報処理学会研究報告
- Place of Presentation
  神奈川県横浜市, 慶応義塾大学
- Year and Date
  2015-09-05
- Data Source
  KAKENHI-PROJECT-24240044
[Presentation] 配列相同性に基づくタンパク質のリガンド結合候補部位の評価2015
- Author(s)
  安尾信明，関嶋政和
- Organizer
  情報処理学会第41回バイオ情報学研究会
- Place of Presentation
  北海道大学
- Year and Date
  2015-03-20
- Data Source
  KAKENHI-PROJECT-25870222
[Presentation] 方向性を持たせたグラフ構造変換による仮想化合物ライブラリの構築の研究2015
- Author(s)
  吉川舜亮，安尾信明，吉野龍ノ介，関嶋政和
- Organizer
  情報処理学会第41回バイオ情報学研究会
- Place of Presentation
  北海道大学
- Year and Date
  2015-03-20
- Data Source
  KAKENHI-PROJECT-25870222
[Presentation] SCMS2.0によるタンパク質ポテンシャルエネルギー最小化の諸条件における評価2014
- Author(s)
  篠崎隆宏、関嶋政和
- Organizer
  バイオ情報学研究会
- Place of Presentation
  九州工業大学
- Data Source
  KAKENHI-PROJECT-23650068
[Presentation] SCMS2.0によるタンパク質ポテンシャルエネルギー最小化の諸条件における評価2014
- Author(s)
  篠崎隆宏, 関嶋政和
- Organizer
  情報処理学会バイオ情報学研究会(SIGBIO)第37回研究会
- Place of Presentation
  九州工業大学
- Year and Date
  2014-03-05
- Data Source
  KAKENHI-PROJECT-23650068
[Presentation] ハッシュテーブル及びde Bruijn Graphの分割による、ゲノム解析の消費メモリ量の低減2014
- Author(s)
  杉浦典和 , 石田貴士 , 秋山泰 , 関嶋政和
- Organizer
  情報処理学会第76回全国大会
- Place of Presentation
  東京都,　東京電機大学
- Data Source
  KAKENHI-PROJECT-24240044
[Presentation] SCMS2.0によるタンパク質ポテンシャルエネルギー最小化の諸条件における評価2014
- Author(s)
  篠崎隆宏 , 関嶋政和
- Organizer
  情報処理学会第37回バイオ情報学研究会
- Place of Presentation
  福岡県, 九州工業大学
- Data Source
  KAKENHI-PROJECT-24240044
[Presentation] De Bruijn Graphの分割によるVelvetの消費メモリの低減2013
- Author(s)
  杉浦典和 , 石田貴士 , 秋山泰 , 関嶋政和
- Organizer
  情報処理学会第36回バイオ情報学研究会
- Place of Presentation
  東京都, 東京工業大学
- Data Source
  KAKENHI-PROJECT-24240044
[Presentation] 分子動力学シミュレーションで探る阻害剤結合によって誘起されるdengue virusプロテアーゼの特徴的な構造2013
- Author(s)
  千葉峻太朗 , 萩原陽介 , 大野一樹 , 折田正弥 , 関嶋政和
- Organizer
  第54回日本熱帯医学会大会
- Place of Presentation
  長崎県, 長崎ブリックホール
- Data Source
  KAKENHI-PROJECT-24240044
[Presentation] FMO法を用いた抗dengue virus薬の創薬標的蛋白質と既知化合物間の相互作用解析2013
- Author(s)
  吉野龍ノ介，安尾信明，千葉峻太朗，萩原陽介，大野一樹，折田正弥，関嶋政和
- Organizer
  第54回日本熱帯医学会大会
- Place of Presentation
  長崎
- Data Source
  KAKENHI-PROJECT-25870222
[Presentation] 結合自由エネルギー予測を用いたクリアランス経路予測の改善に関する研究2013
- Author(s)
  齊藤有紀，石田貴士，関嶋政和，秋山　泰
- Organizer
  情報処理学会　第34回バイオ情報学研究会
- Place of Presentation
  沖縄科学技術大学院大学
- Data Source
  KAKENHI-PROJECT-25870222
[Presentation] Sparse k-mer graphアルゴリズムの評価とVelvetへの実装2013
- Author(s)
  吉川舜亮 , 石田貴士 , 関嶋政和 , 秋山　泰
- Organizer
  情報処理学会第34回バイオ情報学研究会
- Place of Presentation
  沖縄県, 沖縄科学技術大学院大学
- Data Source
  KAKENHI-PROJECT-24240044
[Presentation] 分子動力学シミュレーションで探る阻害剤結合によって誘起されるdengue virusプロテアーゼの特徴的な構造2013
- Author(s)
  千葉峻太朗，萩原陽介，大野一樹，折田正弥，関嶋政和
- Organizer
  54回日本熱帯医学会大会
- Place of Presentation
  長崎
- Data Source
  KAKENHI-PROJECT-25870222
[Presentation] FMO法を用いた抗dengue virus薬の創薬標的蛋白質と既知化合物間の相互作用解析2013
- Author(s)
  吉野龍ノ介 , 安尾信明 , 千葉峻太朗 , 萩原陽介 , 大野一樹 , 折田正弥 , 関嶋政和
- Organizer
  第54回日本熱帯医学会大会
- Place of Presentation
  長崎県, 長崎ブリックホール
- Data Source
  KAKENHI-PROJECT-24240044
[Presentation] FMO 法を用いた抗トリパノソーマ候補薬と標的蛋白質間の相互作用解析2013
- Author(s)
  吉野龍ノ介, 安尾信明, 萩原陽介, 大野一樹, 折田正弥, 井上将行, 原田繁春, 本間光貴, 稲岡健, 北潔, 関嶋政和
- Organizer
  情報処理学会　第36回バイオ情報学研究会
- Place of Presentation
  東京工業大学
- Data Source
  KAKENHI-PROJECT-25870222
[Presentation] 結合自由エネルギー予測を用いたクリアランス経路予測の改善に関する研究2013
- Author(s)
  齊藤有紀 , 石田貴士 , 関嶋政和 , 秋山泰
- Organizer
  情報処理学会第34回バイオ情報学研究会
- Place of Presentation
  沖縄県, 沖縄科学技術大学院大学
- Data Source
  KAKENHI-PROJECT-24240044
[Presentation] Slice Chain Max-Sumアルゴリズムによるタンパク質のポテンシャルエネルギー最小化に関する研究2012
- Author(s)
  猪瀬直人, 篠崎隆宏, 杜世橋, 古井貞煕, 関嶋政和
- Organizer
  情報処理学会バイオ情報学研究会(SIGBIO)第28回研究会
- Place of Presentation
  東北大学
- Year and Date
  2012-03-29
- Data Source
  KAKENHI-PROJECT-23650068
[Presentation] Slice Chain Max-Sumアルゴリズムによるタンパク質のポテンシャルエネルギー最小化に関する研究2012
- Author(s)
  猪瀬直人，篠崎隆宏，杜世橋，古井貞煕，関嶋政和
- Organizer
  情報処理学会バイオ情報学研究会(SIG BIO), 第28回研究会
- Place of Presentation
  仙台市　東北大学
- Data Source
  KAKENHI-PROJECT-23650068
[Presentation] Protein Potential Energy Minimization Using Slice Chain Max-Sum Algorithm2012
- Author(s)
  Naoto Inose,Takahiro Shinozaki, Shiqiao Du, Sadaoki Furui, Masakazu Sekijima
- Organizer
  26th Annual symposium of The Protein society
- Place of Presentation
  アメリカサンディエゴ
- Data Source
  KAKENHI-PROJECT-23650068
[Presentation] Macromolecular Potential Energy Minimization Based on Slice-Wise Sampling and Max-Sum Algorithm2012
- Author(s)
  Takahiro Shinozaki, Naoto Inose, Shiqiao Du, Sadaoki Furuiy and Masakazu Sekijima
- Organizer
  The 7th IAPR International Conference on Pattern Recognition in Bioinformatics
- Place of Presentation
  Tokyo Institute of Technology
- Year and Date
  2012-11-10
- Data Source
  KAKENHI-PROJECT-23650068
[Presentation] Protein Potential Energy Minimization Using Slice Chain Max-Sum Algorithm2012
- Author(s)
  Naoto Inose, Takahiro Shinozaki, Shiqiao Du, Sadaoki Furui and Masakazu Sekijima
- Organizer
  The 26th Annual Symposium of The Protein Society
- Place of Presentation
  San Diego
- Year and Date
  2012-08-06
- Data Source
  KAKENHI-PROJECT-23650068
[Presentation] Macromolecular Potential Energy Minimization Based on Slice-Wise Sampling and Max-Sum Algorithm2012
- Author(s)
  Takahiro Shinozaki, Naoto Inose, Shiqiao Du, Sadaoki Furuiy, Masakazu Sekijima
- Organizer
  The 7th IAPR International Conference on Pattern Recognition in Bioinformatics
- Place of Presentation
  東京都目黒区
- Data Source
  KAKENHI-PROJECT-23650068
[Presentation] Distance-based Graph Linearization and Sampled Max-sum Algorithm for Efficient 3D Potential Decoding of Macromolecules2011
- Author(s)
  Takahiro Shinozaki，Toshinao Iwaki，Shiqiao Du，Masakazu Sekijima，Sadaoki Furui
- Organizer
  情報処理学会バイオ情報学研究会(SIG BIO), 第２６回研究会
- Place of Presentation
  神戸市　神戸大学
- Data Source
  KAKENHI-PROJECT-23650068
[Presentation] 超並列計算機を用いた生体分子解析 -疾病関連蛋白質解析と世界最小蛋白質設計への応用-2007
- Author(s)
  関嶋政和、本田真也、野口保
- Organizer
  次世代スーパーコンピューティング・シンポジウム2007
- Place of Presentation
  東京
- Data Source
  KAKENHI-PROJECT-19700279
[Presentation] Free Energy Landscape Analysis of Prion Protein2007
- Author(s)
  M. Sekijima, C. Motono, Y. Akiyama, and T.Noguchi
- Organizer
  51th Biophysical Society Annual Meeting
- Place of Presentation
  Baltimore
- Data Source
  KAKENHI-PROJECT-19700279
[Presentation] 超並列計算機を用いた生体分子解析一疾病関連蛋白質解析と世界最小蛋白質設計への応用-2007
- Author(s)
  関嶋政和, ほか
- Organizer
  次世代スーパーコンピューティング・シンポジウム2007
- Place of Presentation
  東京
- Data Source
  KAKENHI-PROJECT-19700279
[Presentation] 残基との相互作用エネルギーに基づくドッキングシミュレーション結果の絞り込み
- Author(s)
  宮津知美，安尾信明, 関嶋政和
- Organizer
  情報処理学会第77回全国大会
- Place of Presentation
  京都大学
- Year and Date
  2015-03-17 – 2015-03-19
- Data Source
  KAKENHI-PROJECT-25870222
[Presentation] タンパク質立体構造中のリガンド結合候補部位における配列保存性評価手法の開発
- Author(s)
  安尾信明，関嶋政和
- Organizer
  情報処理学会第77回全国大会
- Place of Presentation
  京都大学
- Year and Date
  2015-03-17 – 2015-03-19
- Data Source
  KAKENHI-PROJECT-25870222
[Presentation] 多段階グラフ拡張による仮想化合物ライブラリ構築の研究
- Author(s)
  吉川舜亮, 安尾信明, 吉野龍ノ介, 関嶋政和
- Organizer
  情報処理学会第77回全国大会
- Place of Presentation
  京都大学
- Year and Date
  2015-03-17 – 2015-03-19
- Data Source
  KAKENHI-PROJECT-24240044
[Presentation] タンパク質立体構造中のリガンド結合候補部位における配列保存性評価手法の開発
- Author(s)
  安尾信明, 関嶋政和
- Organizer
  情報処理学会第77回全国大会
- Place of Presentation
  京都大学
- Year and Date
  2015-03-17 – 2015-03-19
- Data Source
  KAKENHI-PROJECT-24240044
[Presentation] GPUを用いたエネルギー計算の並列化によるドッキングシミュレーションの高速化
- Author(s)
  佐々木崇浩, 宇田川拓郎, 関嶋政和
- Organizer
  情報処理学会第75回全国大会
- Place of Presentation
  東北大学（宮城）
- Data Source
  KAKENHI-PROJECT-24240044
[Presentation] 配列相同性に基づくタンパク質のリガンド結合候補部位の評価
- Author(s)
  安尾信明，関嶋政和
- Organizer
  情報処理学会　第38回バイオ情報学研究会
- Place of Presentation
  沖縄科学技術大学院大学
- Year and Date
  2014-06-25 – 2014-06-27
- Data Source
  KAKENHI-PROJECT-24240044
[Presentation] 多段階グラフ拡張による仮想化合物ライブラリ構築の研究
- Author(s)
  吉川舜亮，安尾信明，吉野龍ノ介，関嶋政和
- Organizer
  情報処理学会第77回全国大会
- Place of Presentation
  京都大学
- Year and Date
  2015-03-17 – 2015-03-19
- Data Source
  KAKENHI-PROJECT-25870222
[Presentation] Discovery of dengue virus protease inhibitors and their inhibitionmechanism through docking simulation
- Author(s)
  千葉峻太朗, 萩原陽介, 大野一樹, 本坊和也, 折田正弥, 関嶋政和
- Organizer
  第55回日本熱帯医学会大会・第29回日本国際保健医療学会学術大会
- Place of Presentation
  東京女子医科大学・国際医療協力研修センター
- Year and Date
  2014-11-01 – 2014-11-03
- Data Source
  KAKENHI-PROJECT-25870222
[Presentation] CPU-アクセラレータ間の負荷分散による分子動力学法の効率化
- Author(s)
  宇田川拓郎, 関嶋政和
- Organizer
  情報処理学会研究報告 2012-HPC-136
- Place of Presentation
  沖縄産業支援センター（沖縄）
- Data Source
  KAKENHI-PROJECT-24240044
[Presentation] 残基との相互作用エネルギーに基づくドッキングシミュレーション結果の絞り込み
- Author(s)
  宮津知美, 安尾信明, 関嶋政和
- Organizer
  情報処理学会第77回全国大会
- Place of Presentation
  京都大学
- Year and Date
  2015-03-17 – 2015-03-19
- Data Source
  KAKENHI-PROJECT-24240044
[Presentation] Discovery of dengue virus protease inhibitors and their inhibitionmechanism through docking simulation
- Author(s)
  千葉峻太朗, 萩原陽介, 大野一樹, 本坊和也, 折田正弥, 関嶋政和
- Organizer
  第55回日本熱帯医学会大会・第29回日本国際保健医療学会学術大会
- Place of Presentation
  国立国際医療研究センター
- Year and Date
  2014-11-01 – 2014-11-03
- Data Source
  KAKENHI-PROJECT-24240044
[Presentation] Development of a novel anti trypanosoma drug
- Author(s)
  R. Yoshino, N. Yasuo, Y. Hagiwara, K. Ohno, I. Namatame, M. Orita, M. Sekijima
- Organizer
  CBI学会2014年大会
- Place of Presentation
  タワーホール船堀
- Year and Date
  2014-10-28 – 2014-10-30
- Data Source
  KAKENHI-PROJECT-25870222

1. Akiyama Yutaka (30243091)

# of Collaborated Projects: 2 results

# of Collaborated Products: 9 results
2. 平山謙二 (60189868)

# of Collaborated Projects: 2 results

# of Collaborated Products: 0 results
3. SHINOZAKI Takahiro (80447903)

# of Collaborated Projects: 1 results

# of Collaborated Products: 11 results
4. SHINODA Shinoda (10343097)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
5. 瀬々潤 (40361539)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
6. 稲岡健ダニエル (10623803)

# of Collaborated Projects: 1 results

# of Collaborated Products: 1 results
7. 庄司満 (30339139)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
8. 樺島祥介 (80260652)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
9. Kita Kiyoshi

# of Collaborated Projects: 1 results

# of Collaborated Products: 2 results
10. IGARASHI Manabu

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results
11. 千見寺浄慈

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results
12. 林晋一郎

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results
13. 河野隆志

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results
14. 志波智生

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results
15. 中山亮

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results
16. 吉野龍ノ介

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results

Sekijima Masakazu 関嶋 政和

SEKIJIMA Masakazu 関嶋 政和

Research Projects

Research Products

Co-Researchers

Development of Compound Generation Method Using a Conditional Variational Autoencoder with Skip ConnectionsPrincipal Investigator

Principal Investigator

Project Period (FY)

Research Category

Review Section

Research Institution

in silicoとロボットによる創薬支援システムの開発とシャーガス病治療薬探索Principal Investigator

Principal Investigator

Project Period (FY)

Research Category

Review Section

Research Institution

In silico, in vitro, X-ray crystallography, and integrated strategies for discovering spermidine synthase inhibitors for Chagas diseasePrincipal Investigator

Principal Investigator

Project Period (FY)

Research Category

Research Field

Research Institution

Enhancement of drug discovery of NTDs based on in silico computer-based modeling technologiesPrincipal Investigator

Principal Investigator

Project Period (FY)

Research Category

Research Field

Research Institution

Computational drug discovery techniques with systematic target identification and high-performance molecular simulation

Principal Investigator

Project Period (FY)

Research Category

Research Field

Research Institution

Macromolecular Potential Energy Decoder Based on Graphical Model

Principal Investigator

Project Period (FY)

Research Category

Research Field

Research Institution

Free Energy Landscape Analysis of Prion ProteinPrincipal Investigator

Principal Investigator

Project Period (FY)

Research Category

Research Field

Research Institution

[Journal Article] Statistical potentials for RNA-protein interactions optimized by CMA-ES2022

Author(s)

Journal Title

DOI

Data Source

[Journal Article] An Improved Model for Predicting Compound Retrosynthesizability Using Machine Learning2022

Author(s)

Journal Title

DOI

Data Source

[Journal Article] Dephospho-Coenzyme A Kinase Is an Exploitable Drug Target against Plasmodium falciparum: Identification of Selective Inhibitors by High-Throughput Screening of a Large Chemical Compound Library2022

Author(s)

Journal Title

DOI

Data Source

[Journal Article] Toxicokinetic analysis of the anticoagulant rodenticides warfarin & diphacinone in Egyptian fruit bats (Rousettus aegyptiacus) as a comparative sensitivity assessment for Bonin fruit bats (Pteropus pselaphon)2022

Author(s)

Journal Title

DOI

Data Source

[Journal Article] Multidimensional analyses of the pathomechanism caused by the non-catalytic GNE variant, c.620A&gt;T, in patients with GNE myopathy2022

Author(s)

Journal Title

DOI

Data Source

[Journal Article] Novel Calcium-Binding Ablating Mutations Induce Constitutive RET Activity and Drive Tumorigenesis2022

Author(s)

Journal Title

DOI

Data Source

[Journal Article] Screening for Inhibitors of Main Protease in SARS-CoV-2: In Silico and In Vitro Approach Avoiding Peptidyl Secondary Amides2022

Author(s)

Journal Title

Sekijima Masakazu 関嶋政和

SEKIJIMA Masakazu 関嶋政和

[Journal Article] Multidimensional analyses of the pathomechanism caused by the non-catalytic GNE variant, c.620A>T, in patients with GNE myopathy2022