Hironori Kokubo

6PUBLICATIONS
13CO-AUTHORS
Molecular targetsBiomolecular modelling and designStatistical mechanics in chemistryBiologically active molecules
Featured researcher

Get your video featured.

JoVEPublish with JoVE
Journal

Publications (6)

|Jul 14, 2026
Discovery of CTX-439: A Potent and Selective CDK12 Inhibitor as a Prospective Anti-Cancer Drug.

|Oct 12, 2024
Molecular Dynamics Unveils Multiple-Site Binding of Inhibitors with Reduced Activity on the Surface of Dihydrofolate Reductase.

Mitsugu Araki, Toru Ekimoto, Kazuhiro Takemura

|Sep 02, 2020
Prediction of ligand binding mode among multiple cross-docking poses by molecular dynamics simulations.

Kai Liu, Hironori Kokubo

|Jan 04, 2019
Uncovering abnormal changes in logP after fluorination using molecular dynamics simulations.

Kai Liu, Hironori Kokubo

|Aug 02, 2018
Discovery of 3-Benzyl-1-( trans-4-((5-cyanopyridin-2-yl)amino)cyclohexyl)-1-arylurea Derivatives as Novel and Selective Cyclin-Dependent Kinase 12 (CDK12) Inhibitors.

Masahiro Ito, Toshio Tanaka, Akinori Toita

|Sep 14, 2017
Exploring the Stability of Ligand Binding Modes to Proteins by Molecular Dynamics Simulations: A Cross-docking Study.

Kai Liu, Hironori Kokubo

Pageof 1

Frequent Collaborators

2 joint publications

Kai Liu

2 joint publications

Masahiro Ito

2 joint publications

Tomoya Sameshima

1 joint publications

Gregg B Morin