Masateru Ohta

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

Yasushi Okuno, Ryosuke Kojima, Shoichi Ishida, 2020, Journal of Cheminformatics.

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

Tomohide Masuda, Mitsunori Ikeguchi, Hiroshi Ueda, 2020, J. Chem. Inf. Model..

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

Mitsunori Ikeguchi, Takashi Yoshidome, Masateru Ohta, 2020, J. Comput. Chem..