Masateru Ohta

According to our database, Masateru Ohta authored at least 8 papers between 2020 and 2023.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of five.

2023

Conformational Selectivity of ITK Inhibitors: Insights from Molecular Dynamics Simulations.

Naoki Ogawa, Masateru Ohta, Mitsunori Ikeguchi

J. Chem. Inf. Model., December, 2023

AI-driven molecular generation of not-patented pharmaceutical compounds using world open patent data.

Yugo Shimizu, Masateru Ohta, Shoichi Ishida, Kei Terayama, Masanori Osawa, Teruki Honma, Kazuyoshi Ikeda

J. Cheminformatics, December, 2023

2022

Selective Inhibitor Design for Kinase Homologs Using Multiobjective Monte Carlo Tree Search.

Tatsuya Yoshizawa, Shoichi Ishida, Tomohiro Sato, Masateru Ohta, Teruki Honma, Kei Terayama

J. Chem. Inf. Model., 2022

gr Predictor: A Deep Learning Model for Predicting the Hydration Structures around Proteins.

Kosuke Kawama, Yusaku Fukushima, Mitsunori Ikeguchi, Masateru Ohta, Takashi Yoshidome

J. Chem. Inf. Model., 2022

2021

Effect of Water Molecules on the Activating S810L Mutation of the Mineralocorticoid Receptor.

Kei Takedomi, Masateru Ohta, Toru Ekimoto, Mitsunori Ikeguchi

J. Chem. Inf. Model., 2021

2020

High-Precision Atomic Charge Prediction for Protein Systems Using Fragment Molecular Orbital Calculation and Machine Learning.

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

J. Chem. Inf. Model., 2020

kGCN: a graph-based deep learning framework for chemical structures.

Ryosuke Kojima, Shoichi Ishida, Masateru Ohta, Hiroaki Iwata, Teruki Honma, Yasushi Okuno

J. Cheminformatics, 2020

Comprehensive 3D-RISM analysis of the hydration of small molecule binding sites in ligand-free protein structures.

Takashi Yoshidome, Mitsunori Ikeguchi, Masateru Ohta

J. Comput. Chem., 2020