Koji Okuwaki

11PUBLICATIONS
93CO-AUTHORS
Cheminformatics and quantitative structure-activity relationshipsMolecular medicineComputational chemistryBiomolecular modelling and designMetal cluster chemistry
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Publications (11)

|May 29, 2026
Residue‑resolved dynamically averaged interaction analysis of direct factor Xa inhibitors by MD‑FMO combination calculations.

|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

|Feb 03, 2025
Large-Scale FMO-MP2 Calculations of the Spike Protein Droplet Model.

Hideo Doi, Tatsuya Nakano, Kota Sakakura

|Oct 17, 2024
The seventh blind test of crystal structure prediction: structure ranking methods.

Lily M Hunnisett, Nicholas Francia, Jonas Nyman

|Oct 15, 2024
The seventh blind test of crystal structure prediction: structure generation methods.

Lily M Hunnisett, Jonas Nyman, Nicholas Francia

|Apr 02, 2024
Towards tailoring hydrophobic interaction with uranyl(VI) oxygen for C-H activation.

Satoru Tsushima, Jérôme Kretzschmar, Hideo Doi

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Frequent Collaborators

8 joint publications

Yuji Mochizuki

5 joint publications

Kaori Fukuzawa

4 joint publications

Hideo Doi

3 joint publications

Etsuo Yonemochi