Jan Rezác

According to our database, Jan Rezác authored at least 9 papers between 2011 and 2020.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of five.

2020

Benchmarking of Semiempirical Quantum-Mechanical Methods on Systems Relevant to Computer-Aided Drug Design.

Kristian Kríz, Jan Rezác

J. Chem. Inf. Model., 2020

2019

Reparametrization of the COSMO Solvent Model for Semiempirical Methods PM6 and PM7.

Kristian Kríz, Jan Rezác

J. Chem. Inf. Model., 2019

Description of halogen bonding in semiempirical quantum-mechanical and self-consistent charge density-functional tight-binding methods.

Jan Rezác

J. Comput. Chem., 2019

2018

Macrocycle Conformational Sampling by DFT-D3/COSMO-RS Methodology.

Ondrej Gutten, Daniel Bím, Jan Rezác, Lubomír Rulísek

J. Chem. Inf. Model., 2018

2017

SQM/COSMO Scoring Function at the DFTB3-D3H4 Level: Unique Identification of Native Protein-Ligand Poses.

Adam Pecina, Susanta Haldar, Jindrich Fanfrlík, René Meier, Jan Rezác, Martin Lepsík, Pavel Hobza

J. Chem. Inf. Model., 2017

Description of non-covalent interactions in SCC-DFTB methods.

Vijay Madhav Miriyala, Jan Rezác

J. Comput. Chem., 2017

2016

Cuby: An integrative framework for computational chemistry.

Jan Rezác

J. Comput. Chem., 2016

2012

Evaluation of the performance of post-Hartree-Fock methods in terms of intermolecular distance in noncovalent complexes.

Jan Rezác, Kevin E. Riley, Pavel Hobza

J. Comput. Chem., 2012

2011

Transferable scoring function based on semiempirical quantum mechanical PM6-DH2 method: CDK2 with 15 structurally diverse inhibitors.

Petr Dobes, Jindrich Fanfrlík, Jan Rezác, Michal Otyepka, Pavel Hobza

J. Comput. Aided Mol. Des., 2011