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

Conformational energies and equilibria of cyclic dinucleotides in vacuo and in solution: computational chemistry vs. NMR experiments

O. Gutten P. Jurečka Z. Aliakbar Tehrani M. Buděšínský J. Řezáč L. Rulíšek

Physical Chemistry Chemical Physics 23 (12): 7280-7294 (2021)

Non-Covalent Interactions Atlas Benchmark Data Sets 3: Repulsive Contacts

K. Kříž M. Nováček J. Řezáč

Journal of Chemical Theory and Computation 17 (3): 1548–1561 (2021)

Benchmark Data Sets of Boron Cluster Dihydrogen Bonding for the Validation of Approximate Computational Methods

J. Fanfrlík A. Pecina J. Řezáč M. Lepšík M. B. Sárosi D. Hnyk D. Hnyk P. Hobza

ChemPhysChem 21 (23): 2599-2604 (2020)

SQM/COSMO Scoring Function: Reliable Quantum‐Mechanical Tool for Sampling and Ranking in Structure‐Based Drug Design

A. Pecina S. M. Eyrilmez C. Köprülüoglu V. Miriyala M. Lepšík J. Fanfrlík J. Řezáč P. Hobza

ChemPlusChem 85 (11): 2362-2371 (2020)