Masahito Ohue

24PUBLICATIONS
41CO-AUTHORS
Computational chemistryBiomolecular modelling and designChemical and thermal processes in energy and combustionBiomaterialsCheminformatics and quantitative structure-activity relationships
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Publications (24)

|Aug 10, 2026
PairMap2: A Web Application for Intermediate-Molecule Insertion in Relative Binding Free Energy Calculations.

|May 14, 2026
Chemical language models for natural product discovery.

|Oct 23, 2025
Reaction-conditioned generative model for catalyst design and optimization with CatDRX.

Apakorn Kengkanna, Yuta Kikuchi, Takashi Niwa

|Oct 22, 2025
ALLM-Ab: Active Learning-Driven Antibody Optimization Using Fine-Tuned Protein Language Models.

Kairi Furui, Masahito Ohue

|Mar 31, 2025
Benchmarking HelixFold3-Predicted Holo Structures for Relative Free Energy Perturbation Calculations.

Kairi Furui, Masahito Ohue

|Jan 13, 2025
PairMap: An Intermediate Insertion Approach for Improving the Accuracy of Relative Free Energy Perturbation Calculations for Distant Compound Transformations.

Kairi Furui, Takafumi Shimizu, Yutaka Akiyama

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Frequent Collaborators

10 joint publications

Yutaka Akiyama

7 joint publications

Keisuke Yanagisawa

6 joint publications

Kairi Furui

4 joint publications

Takatsugu Kosugi