doc. RNDr. Jan Řezáč, Ph.D.

Profil

I am computational chemist interested mainly in non-covalent interactions. More details about my work can be found at my personal website.

Další zdroje

Všechny publikace

SQM2.20: Semiempirical quantum-mechanical scoring function yields DFT-quality protein–ligand binding affinity predictions in minutes

A. Pecina J. Fanfrlík M. Lepšík J. Řezáč

Nature Communications 15: 1127 (2024)

Improved Description of Intra- and Intermolecular Interactions through Dispersion-Corrected Second-Order Møller–Plesset Perturbation Theory

G. J. O. Beran C. Greenwell C. Cook J. Řezáč

Accounts of Chemical Research 56 (23): 3525–3534 (2023)

On the Role of Charge Transfer in Many-Body Non-Covalent Interactions

J. Řezáč A. de la Lande

ChemPhysChem 24 (18): e202300329 (2023)

How well do semiempirical QM methods describe the structure of proteins?

J. Řezáč J. P. P. Stewart

Journal of Chemical Physics 158 (4): 044118 (2023)