Koichiro Kato

12PUBLICATIONS
42CO-AUTHORS
Molecular medicineElectrochemical energy storage and conversionCheminformatics and quantitative structure-activity relationshipsComputational methods in fluid flow, heat and mass transfer (incl. computational fluid dynamics)Theoretical quantum chemistry
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Publications (12)

|Dec 22, 2025
Dynamical Fragment Molecular Orbital Interaction Analysis of SARS-CoV‑2 RNA-Dependent RNA Polymerase and Remdesivir.

Shuhei Miyakawa, Koji Okuwaki, Yusuke Kawashima

|Dec 15, 2025
Enhancement of Transdermal Delivery and Vaccine Effect via Chemical Permeation Enhancers Integrated Solid-in-Oil Dispersions.

Keisuke Tanaka, Yoshirou Kawaguchi, Rie Wakabayashi

|Jun 10, 2025
Quantitative Structure-Activity Relationships for Human Galectin-3 Inhibitors: Insights from Quantum Chemical Interaction Energy Terms.

Tomohide Masuda, Chiduru Watanabe, Koichiro Kato

|Dec 02, 2024
Geometry Optimization Using the Frozen Domain and Partial Dimer Approaches in the Fragment Molecular Orbital Method: Implementation, Benchmark, and Applications to Protein Ligand-Binding Sites.

Koji Okuwaki, Naoki Watanabe, Koichiro Kato

|Oct 24, 2024
Quantum chemical calculation dataset for representative protein folds by the fragment molecular orbital method.

Daisuke Takaya, Shu Ohno, Toma Miyagishi

|Dec 26, 2023
Enhanced Coarse-Grained Molecular Dynamics Simulation with a Smoothed Hybrid Potential Using a Neural Network Model.

Ryo Kanada, Atsushi Tokuhisa, Yusuke Nagasaka

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Frequent Collaborators

5 joint publications

Kaori Fukuzawa

5 joint publications

Chiduru Watanabe

4 joint publications

Teruki Honma

2 joint publications

Tatsuya Nakano