Hajime Hirao

32PUBLICATIONS
40CO-AUTHORS
Biomolecular modelling and designPolymerisation mechanismsCheminformatics and quantitative structure-activity relationshipsMolecular medicineFree radical chemistry
Featured researcher

Get your video featured.

JoVEPublish with JoVE
Journal

Publications (32)

|Jan 09, 2026
Molecular dynamics simulations elucidate the role of the F-F' loop in substrate entry into CYP3A4.

Junfang Yan, Hajime Hirao

|Dec 15, 2025
Conformation-driven reversibility control in ring-opening metathesis polymerization of non-bicyclic cyclooctenes.

Trimbak Baliram Mete, Kyungmin Choi, Honghui Zhang

|Sep 18, 2025
Deep Learning Models for Predicting Human Cytochrome P450 Inhibition and Induction.

Zhaodi Xiao, Hajime Hirao

|Apr 18, 2025
QM/MM Study of the Metabolic Oxidation of 6',7'-Dihydroxybergamottin Catalyzed by Human CYP3A4: Preferential Formation of the γ-Ketoenal Product in Mechanism-Based Inactivation.

Junfang Yan, Hajime Hirao

|Feb 11, 2025
Mechanism of Regio- and Enantioselective Hydroxylation of Arachidonic Acid Catalyzed by Human CYP2E1: A Combined Molecular Dynamics and Quantum Mechanics/Molecular Mechanics Study.

Honghui Zhang, Hajime Hirao

|Oct 23, 2024
Hydrogen-Bond-Assisted Catalysis: Hydroxylation of Paclitaxel by Human CYP2C8.

Dongxiao Yue, Elvis Wang Hei Ng, Hajime Hirao

Pageof 6

Frequent Collaborators

2 joint publications

Jianrong Steve Zhou

2 joint publications

Tomoki Ogoshi

2 joint publications

Shigehisa Akine

2 joint publications

Soon Hyeok Hong