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Michal H. Kolář
Michal H. Kolář
University of Chemistry and Technology, Prague, Czech Republic
Verified email at mhko.science - Homepage
Title
Cited by
Cited by
Year
Computer modeling of halogen bonds and other σ-hole interactions
MH Kolar, P Hobza
Chemical reviews 116 (9), 5155-5187, 2016
5922016
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
1632014
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
1502012
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
922013
Plugging the explicit σ-holes in molecular docking
M Kolář, P Hobza, AK Bronowska
Chemical communications 49 (10), 981-983, 2013
912013
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
902013
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
692013
Halogen bonding in nucleic acid complexes: miniperspective
MH Kolář, O Tabarrini
Journal of Medicinal Chemistry 60 (21), 8681-8690, 2017
542017
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
522015
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
492015
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
472011
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
472007
Molecular simulations of the ribosome and associated translation factors
LV Bock, MH Kolář, H Grubmüller
Current opinion in structural biology 49, 27-35, 2018
402018
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
362010
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
352010
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
342015
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
332012
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
302014
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
272011
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
232015
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Articles 1–20