Hajime Hirao

Publication Activity (10 Years)

Years Active: 2008-2023
Publications (10 Years): 3

Top Topics

Parameter Space

Provably Secure

Parametric Models

Top Venues

J. Comput. Chem.

J. Chem. Inf. Model.

Publications

Dongxiao Yue, Hajime Hirao
Mechanism of Selective Aromatic Hydroxylation in the Metabolic Transformation of Paclitaxel Catalyzed by Human CYP3A4. J. Chem. Inf. Model. 63 (24) (2023)
Ruixing Wang, Mikhail Ozhgibesov, Hajime Hirao
Analytical hessian fitting schemes for efficient determination of force-constant parameters in molecular mechanics. J. Comput. Chem. 39 (6) (2018)
Ruixing Wang, Mikhail Ozhgibesov, Hajime Hirao
Partial hessian fitting for determining force constant parameters in molecular mechanics. J. Comput. Chem. 37 (26) (2016)
Nguyen Hoa My, Hajime Hirao, Dang Ung Van, Keiji Morokuma
Computational Studies of Bacterial Resistance to β-Lactam Antibiotics: Mechanism of Covalent Inhibition of the Penicillin-Binding Protein 2a (PBP2a). J. Chem. Inf. Model. 51 (12) (2011)
Hajime Hirao
A reactive bond orbital investigation of the Diels-Alder reaction between 1, 3-butadiene and ethylene: Energy decomposition, state correlation diagram, and electron density analyses. J. Comput. Chem. 29 (9) (2008)