Vedoucí skupiny

Pavel Hobza

Kontakty

Skupina

Všechny publikace

Nedávné publikace

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 2020: Early View

Mechanical force-induced manipulation of electronic conductance in a spin-crossover complex: a simple approach to molecular electronics

A. Sarmah P. Hobza

Nanoscale Advances 2 (7): 2907-2913 (2020)

Ground state of the Fe(II)-porphyrin model system corresponds to quintet: a DFT and DMRG-based tailored CC study

A. Antalík

D. Nachtigallová R. Lo

M. Matoušek

J. Lang

Ö. Legeza

J. Pittner

P. Hobza

L. Veis

Physical Chemistry Chemical Physics 22 (30): 17033-17037 (2020)

Optimization of norbornyl‐based carbocyclic nucleoside analogs as cyclin‐dependent kinase 2 inhibitors

C. Köprülüoglu M. Dejmek M. Šála H. Ajani H. Hřebabecký J. Fanfrlík

R. Jorda

M. Dračínský E. Procházková P. Šácha

V. Kryštof

P. Hobza M. Lepšík R. Nencka

Journal of Molecular Recognition 33 (8): e2842 (2020)