| Computer modeling of halogen bonds and other σ-hole interactions MH Kolar, P Hobza Chemical reviews 116 (9), 5155-5187, 2016 | 618 | 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 | 170 | 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 | 151 | 2012 |
| 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 | 94 | 2013 |
| Plugging the explicit σ-holes in molecular docking M Kolář, P Hobza, AK Bronowska Chemical Communications 49 (10), 981-983, 2013 | 94 | 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 | 92 | 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 | 70 | 2013 |
| Halogen bonding in nucleic acid complexes: miniperspective MH Kolář, O Tabarrini Journal of Medicinal Chemistry 60 (21), 8681-8690, 2017 | 59 | 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 | 52 | 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 | 50 | 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 | 48 | 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 | 48 | 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 | 42 | 2018 |
| 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 | 36 | 2010 |
| 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 | 35 | 2015 |
| 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 | 34 | 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 | 33 | 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 | 30 | 2014 |
| 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 |
| 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 | 26 | 2015 |
Jindrich FanfrlikResearcher at Institute of Organic Chemistry and Biochemistry of the CAS在 uochb.cas.cz 的电子邮件经过验证
