Masateru Ohta

Publication Activity (10 Years)

Years Active: 2020-2023
Publications (10 Years): 8

Top Topics

High Reliability

Protein Protein

Molecular Dynamics

Top Venues

J. Chem. Inf. Model.

J. Cheminformatics

J. Comput. Chem.

Publications

Yugo Shimizu, Masateru Ohta, Shoichi Ishida, Kei Terayama, Masanori Osawa, Teruki Honma, Kazuyoshi Ikeda
AI-driven molecular generation of not-patented pharmaceutical compounds using world open patent data. J. Cheminformatics 15 (1) (2023)
Naoki Ogawa, Masateru Ohta, Mitsunori Ikeguchi
Conformational Selectivity of ITK Inhibitors: Insights from Molecular Dynamics Simulations. J. Chem. Inf. Model. 63 (24) (2023)
Kosuke Kawama, Yusaku Fukushima, Mitsunori Ikeguchi, Masateru Ohta, Takashi Yoshidome
gr Predictor: A Deep Learning Model for Predicting the Hydration Structures around Proteins. J. Chem. Inf. Model. 62 (18) (2022)
Tatsuya Yoshizawa, Shoichi Ishida, Tomohiro Sato, Masateru Ohta, Teruki Honma, Kei Terayama
Selective Inhibitor Design for Kinase Homologs Using Multiobjective Monte Carlo Tree Search. J. Chem. Inf. Model. 62 (22) (2022)
Kei Takedomi, Masateru Ohta, Toru Ekimoto, Mitsunori Ikeguchi
Effect of Water Molecules on the Activating S810L Mutation of the Mineralocorticoid Receptor. J. Chem. Inf. Model. 61 (7) (2021)
Koichiro Kato, Tomohide Masuda, Chiduru Watanabe, Naoki Miyagawa, Hideo Mizouchi, Shumpei Nagase, Kikuko Kamisaka, Kanji Oshima, Satoshi Ono, Hiroshi Ueda, Atsushi Tokuhisa, Ryo Kanada, Masateru Ohta, Mitsunori Ikeguchi, Yasushi Okuno, Kaori Fukuzawa, Teruki Honma
High-Precision Atomic Charge Prediction for Protein Systems Using Fragment Molecular Orbital Calculation and Machine Learning. J. Chem. Inf. Model. 60 (7) (2020)
Ryosuke Kojima, Shoichi Ishida, Masateru Ohta, Hiroaki Iwata, Teruki Honma, Yasushi Okuno
kGCN: a graph-based deep learning framework for chemical structures. J. Cheminformatics 12 (1) (2020)
Takashi Yoshidome, Mitsunori Ikeguchi, Masateru Ohta
Comprehensive 3D-RISM analysis of the hydration of small molecule binding sites in ligand-free protein structures. J. Comput. Chem. 41 (28) (2020)