Michal H. Kolář

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Jindrich FanfrlikResearcher at Institute of Organic Chemistry and Biochemistry of the CASPotvrđena adresa e-pošte na uochb.cas.cz
Helmut GrubmullerTheoretical and Computational Biophysics Department, Max Planck Institute for MultidisciplinaryPotvrđena adresa e-pošte na gwdg.de
Martin LepsikInst. Org. Chem. Biochem., Czech Acad SciPotvrđena adresa e-pošte na uochb.cas.cz
Alexandra Cousido-SiahIGBMCPotvrđena adresa e-pošte na igbmc.fr
Alberto Daniel PodjarnyDr. en Física, UNLPPotvrđena adresa e-pošte na fisica.unlp.edu.ar
Francesc Xavier RuizAssociate Professor, Center for Advanced Biotechnology & Medicine, Rutgers University, New JerseyPotvrđena adresa e-pošte na cabm.rutgers.edu
Jan ŘezáčResearcher at Institute of Organic Chemistry and Biochemistry AS CRPotvrđena adresa e-pošte na uochb.cas.cz
Lars V. BockProject Leader, Theoretical and Computational Biophysics, MPI for Multidisciplinary SciencesPotvrđena adresa e-pošte na mpibpc.mpg.de
Jiří HostašAssistant Research OfficerPotvrđena adresa e-pošte na nrc-cnrc.gc.ca
Tomáš KubařAssistant Professor, Karlsruhe Institute of TechnologyPotvrđena adresa e-pošte na kit.edu
Susanta HaldarInstitute of Organic Chemistry and Biochemistry (IOCB), PraguePotvrđena adresa e-pošte na bristol.ac.uk
Adam PecinaResearcher at Institute of Organic Chemistry and Biochemistry (IOCB Prague)Potvrđena adresa e-pošte na uochb.cas.cz
Oriana TabarriniUniversity of PerugiaPotvrđena adresa e-pošte na unipg.it
Elango Munusamycomputational chemistPotvrđena adresa e-pošte na microsoft.com
Jan VeselyPotvrđena adresa e-pošte na natur.cuni.cz
Javier LuqueUniversity of Barcelona - Institut of BiomedicinePotvrđena adresa e-pošte na ub.edu
Karel BerkaPalacký University OlomoucPotvrđena adresa e-pošte na upol.cz
Deepa Palanisamyyoung scientist(DST-SERB), Dept. of Physics, Manonmaniam Sundaranar UniversityPotvrđena adresa e-pošte na uochb.cas.cz
Haresh Ajani, Ph.D.Taros Chemical GmbH, Dortmund, GermanyPotvrđena adresa e-pošte na utoronto.ca
Michaela ČernekováUniversity of Chemistry and Technology, Prague, Czech RepublicPotvrđena adresa e-pošte na vscht.cz

Prati

Michal H. Kolář

University of Chemistry and Technology, Prague, Czech Republic

Potvrđena adresa e-pošte na mhko.science - Početna stranica

molecular modeling biophysics noncovalent interactions biomolecular force fields


Naslov Poredaj po navodima Poredaj po godini Poredaj po naslovu	Citirano Citirano	Godina
Computer modeling of halogen bonds and other σ-hole interactions MH Kolar, P Hobza Chemical reviews 116 (9), 5155-5187, 2016	642	2016
The Strength and Directionality of a Halogen Bond is Co-Determined by the Magnitude and Size of the σ-Hole M Kolář, J Hostaš, P Hobza Physical Chemistry Chemical Physics, 2014	178	2014
On extension of the current biomolecular empirical force field for the description of halogen bonds M Kolář, P Hobza Journal of chemical theory and computation 8 (4), 1325-1333, 2012	152	2012
Plugging the explicit σ-holes in molecular docking M Kolář, P Hobza, AK Bronowska Chemical Communications 49 (10), 981-983, 2013	98	2013
Modulation of aldose reductase inhibition by halogen bond tuning J Fanfrlik, M Kolar, M Kamlar, D Hurny, FX Ruiz, A Cousido-Siah, ... ACS chemical biology 8 (11), 2484-2492, 2013	96	2013
The semiempirical quantum mechanical scoring function for in silico drug design M Lepšík, J Řezáč, M Kolář, A Pecina, P Hobza, J Fanfrlík ChemPlusChem 78 (9), 921-931, 2013	95	2013
Assessing the accuracy and performance of implicit solvent models for drug molecules: conformational ensemble approaches M Kolar, J Fanfrlik, M Lepsik, F Forti, FJ Luque, P Hobza The Journal of Physical Chemistry B 117 (19), 5950-5962, 2013	72	2013
Halogen bonding in nucleic acid complexes: miniperspective MH Kolar, O Tabarrini Journal of medicinal chemistry 60 (21), 8681-8690, 2017	58	2017
Polar flattening and the strength of halogen bonding R Sedlak, MH Kolar, P Hobza Journal of chemical theory and computation 11 (10), 4727-4732, 2015	56	2015
The effect of halogen-to-hydrogen bond substitution on human aldose reductase inhibition J Fanfrlik, FX Ruiz, A Kadlcikova, J Rezac, A Cousido-Siah, A Mitschler, ... ACS chemical biology 10 (7), 1637-1642, 2015	51	2015
On the role of London dispersion forces in biomolecular structure determination M Kolar, T Kubar, P Hobza The Journal of Physical Chemistry B 115 (24), 8038-8046, 2011	50	2011
Accurate Theoretical Determination of the Structure of Aromatic Complexes Is Complicated: The Phenol Dimer and Phenol⊙⊙⊙ Methanol Cases M Kolář, P Hobza The Journal of Physical Chemistry A 111 (26), 5851-5854, 2007	49	2007
Molecular simulations of the ribosome and associated translation factors LV Bock, MH Kolář, H Grubmüller Current opinion in structural biology 49, 27-35, 2018	48	2018
Characteristics of a σ-hole and the nature of a halogen bond MH Kolář, P Deepa, H Ajani, A Pecina, P Hobza Halogen Bonding II: Impact on Materials Chemistry and Life Sciences, 1-25, 2015	37	2015
On the reliability of the AMBER force field and its empirical dispersion contribution for the description of noncovalent complexes M Kolář, K Berka, P Jurečka, P Hobza ChemPhysChem 11 (11), 2399-2408, 2010	37	2010
Sequence-dependent configurational entropy change of DNA upon intercalation M Kolar, T Kubař, P Hobza The Journal of Physical Chemistry B 114 (42), 13446-13454, 2010	35	2010
Adsorption of organic electron acceptors on graphene-like molecules: Quantum chemical and molecular mechanical study S Haldar, M Kolar, R Sedlak, P Hobza The Journal of Physical Chemistry C 116 (48), 25328-25336, 2012	34	2012
Statistical analysis of σ-holes: a novel complementary view on halogen bonding MH Kolář, P Carloni, P Hobza Physical Chemistry Chemical Physics 16 (36), 19111-19114, 2014	31	2014
Substrate specificity, inhibitor selectivity and structure-function relationships of aldo-keto reductase 1B15: a novel human retinaldehyde reductase J Giménez-Dejoz, MH Kolář, FX Ruiz, I Crespo, A Cousido-Siah, ... PLoS One 10 (7), e0134506, 2015	29	2015
Ligand conformational and solvation/desolvation free energy in protein− ligand complex formation M Kolar, J Fanfrlik, P Hobza The Journal of Physical Chemistry B 115 (16), 4718-4724, 2011	27	2011

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