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M

Masateru Ohta

RIKEN Center for Computational Science

20H指数
133论文数
1.6K被引数
收录论文 37
发表时间
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Generalizing molecular design via flexible search space control通过灵活的搜索空间控制实现分子设计的泛化
errCommunications Chemistry
IF6.2
err2026-08-21
err0
errOAAI
errSatoru Fujii; Yuki Murakami; Tatsuya Yoshizawa; Shoichi Ishida; Nobuo Cho; Masateru Ohta; Teruki Honma; Kazuki Yoshizoe; Masato Sumita; Koji Tsuda; Kei Terayama
err分享
err收藏
Data-Driven Design of PROTAC Linkers to Improve PROTAC Cell Membrane Permeability数据驱动的PROTAC连接子设计以改善PROTAC细胞膜通透性
errJACS Au
IF8.7
err2026-02-08
err0
errOAAI
errYuki Murakami; Shoichi Ishida; Nobuo Cho; Hitomi Yuki; Masateru Ohta; Teruki Honma; Yosuke Demizu; Kei Terayama
err分享
err收藏
In silico-driven protocol for hit-to-lead optimization: a case study on PDE9A inhibitors基于计算机模拟的先导化合物优化方案：PDE9A抑制剂案例研究
errJournal of Computer-Aided Molecular Design
IF3.1
err2025-12-19
err0
errOAAI
errHiroyuki Ogawa; Masateru Ohta; Mitsunori Ikeguchi
err分享
err收藏
Synthesis and Biological Evaluations of Novel Human Parathyroid Hormone 1 Receptor (hPTHR1) Agonists Bearing Bicyclic Aromatic Moiety
errCHEMMEDCHEM
IF3.4
err2024-02-05
err0
PREAI
errNishimura, Yoshikazu; Esaki, Toru; Isshiki, Yoshiaki; Furuta, Yoshiyuki; Emura, Takashi; Watanabe, Yoshiaki; Ohta, Masateru; Arai, Shinichi; Noda, Hiroshi; Shimizu, Masaru; Tamura, Tatsuya; Sato, Haruhiko
err分享
err收藏
AI-driven molecular generation of not-patented pharmaceutical compounds using world open patent data使用世界开放专利数据的非专利药物化合物的AI驱动分子生成
errJOURNAL OF CHEMINFORMATICS
IF5.7
err2023-12-13
err2
errOAAI
errShimizu, Yugo; Ohta, Masateru; Ishida, Shoichi; Terayama, Kei; Osawa, Masanori; Honma, Teruki; Ikeda, Kazuyoshi
err分享
err收藏
Conformational Selectivity of ITK Inhibitors: Insights from Molecular Dynamics Simulations
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2023-12-09
err2
errOAAI
errOgawa, Naoki; Ohta, Masateru; Ikeguchi, Mitsunori
err分享
err收藏
Selective Inhibitor Design for Kinase Homologs Using Multiobjective Monte Carlo Tree Search
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2022-11-05
err7
errOAAI
errYoshizawa, Tatsuya; Ishida, Shoichi; Sato, Tomohiro; Ohta, Masateru; Honma, Teruki; Terayama, Kei
err分享
err收藏
gr Predictor: A Deep Learning Model for Predicting the Hydration Structures around Proteins
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2022-09-07
err4
errOAAI
errKawama, Kosuke; Fukushima, Yusaku; Ikeguchi, Mitsunori; Ohta, Masateru; Yoshidome, Takashi
err分享
err收藏
Machine learning to estimate the local quality of protein crystal structures
errSCIENTIFIC REPORTS
IF3.9
err2021-12-08
err5
errOAAI
errMiyaguchi, Ikuko; Sato, Miwa; Kashima, Akiko; Nakagawa, Hiroyuki; Kokabu, Yuichi; Ma, Biao; Matsumoto, Shigeyuki; Tokuhisa, Atsushi; Ohta, Masateru; Ikeguchi, Mitsunori
err分享
err收藏
Structure-based screening combined with computational and biochemical analyses identified the inhibitor targeting the binding of DNA Ligase 1 to UHRF1
errBIOORGANIC & MEDICINAL CHEMISTRY
IF3
err2021-12-01
err11
errOAAI
errKori, Satomi; Shibahashi, Yuki; Ekimoto, Toru; Nishiyama, Atsuya; Yoshimi, Sae; Yamaguchi, Kosuke; Nagatoishi, Satoru; Ohta, Masateru; Tsumoto, Kouhei; Nakanishi, Makoto; Defossez, Pierre-Antoine; Ikeguchi, Mitsunori; Arita, Kyohei
err分享
err收藏
Structure-based design and discovery of novel anti-tissue factor antibodies with cooperative double-point mutations, using interaction analysis (vol 10, 17590, 2020)
errSCIENTIFIC REPORTS
IF3.9
err2021-09-07
err0
errOAAI
errChiba, Shuntaro; Tanabe, Aki; Nakakido, Makoto; Okuno, Yasushi; Tsumoto, Kouhei; Ohta, Masateru
err分享
err收藏
Effect of Water Molecules on the Activating S810L Mutation of the Mineralocorticoid Receptor
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2021-07-06
err1
errOAAI
errTakedomi, Kei; Ohta, Masateru; Ekimoto, Toru; Ikeguchi, Mitsunori
err分享
err收藏
Structure-based design and discovery of novel anti-tissue factor antibodies with cooperative double-point mutations, using interaction analysis
errSCIENTIFIC REPORTS
IF3.9
err2020-10-16
err6
errOAAI
errChiba, Shuntaro; Tanabe, Aki; Nakakido, Makoto; Okuno, Yasushi; Tsumoto, Kouhei; Ohta, Masateru
err分享
err收藏
Comprehensive 3D-RISM analysis of the hydration of small molecule binding sites in ligand-free protein structures
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2020-08-19
err7
errOAAI
errYoshidome, Takashi; Ikeguchi, Mitsunori; Ohta, Masateru
err分享
err收藏
High-Precision Atomic Charge Prediction for Protein Systems Using Fragment Molecular Orbital Calculation and Machine Learning
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2020-06-04
err31
errOAAI
errKato, Koichiro; Masuda, Tomohide; Watanabe, Chiduru; Miyagawa, Naoki; Mizouchi, Hideo; Nagase, Shumpei; Kamisaka, Kikuko; Oshima, Kanji; Ono, Satoshi; Ueda, Hiroshi; Tokuhisa, Atsushi; Kanada, Ryo; Ohta, Masateru; Ikeguchi, Mitsunori; Okuno, Yasushi; Fukuzawa, Kaori; Honma, Teruki
err分享
err收藏
kGCN: a graph-based deep learning framework for chemical structures
errJOURNAL OF CHEMINFORMATICS
IF5.7
err2020-05-12
err67
errOAAI
errKojima, Ryosuke; Ishida, Shoichi; Ohta, Masateru; Iwata, Hiroaki; Honma, Teruki; Okuno, Yasushi
err分享
err收藏
Lead Optimization and Avoidance of Reactive Metabolite Leading to PCO371, a Potent, Selective, and Orally Available Human Parathyroid Hormone Receptor 1 (hPTHR1) Agonist
errJOURNAL OF MEDICINAL CHEMISTRY
IF6.8
err2020-02-05
err18
PREAI
errNishimura, Yoshikazu; Esaki, Toru; Isshiki, Yoshiaki; Furuta, Yoshiyuki; Mizutani, Akemi; Kotake, Tomoya; Emura, Takashi; Watanabe, Yoshiaki; Ohta, Masateru; Nakagawa, Toshito; Ogawa, Kotaro; Arai, Shinichi; Noda, Hiroshi; Kitamura, Hidetomo; Shimizu, Masaru; Tamura, Tatsuya; Sato, Haruhiko
err分享
err收藏
Development of a Novel Human Parathyroid Hormone Receptor 1 (hPTHR1) Agonist (CH5447240), a Potent and Orally Available Small Molecule for Treatment of Hypoparathyroidism
errJOURNAL OF MEDICINAL CHEMISTRY
IF6.8
err2018-06-22
err8
PREAI
errNishimura, Yoshikazu; Esaki, Toru; Isshiki, Yoshiaki; Okamoto, Naoki; Furuta, Yoshiyuki; Kotake, Tomoya; Watanabe, Yoshiaki; Ohta, Masateru; Nakagawa, Toshito; Noda, Hiroshi; Shimizu, Masaru; Saito, Hitoshi; Tamura, Tatsuya; Sato, Haruhiko
err分享
err收藏
LONG-TERM FOLLOWUP OF BIOLOGIC AGENTS IN PATIENTS WITH RHEUMATOID ARTHRITIS
errANNALS OF THE RHEUMATIC DISEASES
IF20.6
err2016-06-01
err0
PREAI
errKaneko, Y.; Kondo, H.; Ohta, M.; Takeuchi, T.
err分享
err收藏
Structure-Based Drug Design: A Key Technology for Drug Discovery in the Pharmaceutical Industry
errJOURNAL OF CARDIAC FAILURE
IF8.2
err2015-10-01
err0
PREAI
errOhta, Masateru
err分享
err收藏

研究方向

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