Masateru Ohta
Orcid: 0000-0002-6580-7185
According to our database1,
Masateru Ohta authored at least 10 papers
between 2020 and 2026.
Collaborative distances:
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Bibliography
2026
In silico-driven protocol for hit-to-lead optimization: a case study on PDE9A inhibitors.
J. Comput. Aided Mol. Des., December, 2026
2025
Quantitative Structure-Activity Relationships for Human Galectin-3 Inhibitors: Insights from Quantum Chemical Interaction Energy Terms.
J. Chem. Inf. Model., 2025
2023
Conformational Selectivity of ITK Inhibitors: Insights from Molecular Dynamics Simulations.
J. Chem. Inf. Model., December, 2023
AI-driven molecular generation of not-patented pharmaceutical compounds using world open patent data.
J. Cheminformatics, December, 2023
2022
Selective Inhibitor Design for Kinase Homologs Using Multiobjective Monte Carlo Tree Search.
J. Chem. Inf. Model., 2022
gr Predictor: A Deep Learning Model for Predicting the Hydration Structures around Proteins.
J. Chem. Inf. Model., 2022
2021
Effect of Water Molecules on the Activating S810L Mutation of the Mineralocorticoid Receptor.
J. Chem. Inf. Model., 2021
2020
High-Precision Atomic Charge Prediction for Protein Systems Using Fragment Molecular Orbital Calculation and Machine Learning.
J. Chem. Inf. Model., 2020
J. Cheminformatics, 2020
Comprehensive 3D-RISM analysis of the hydration of small molecule binding sites in ligand-free protein structures.
J. Comput. Chem., 2020