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List of works by Michal H Kolář

Accurate Theoretical Determination of the Structure of Aromatic Complexes Is Complicated: The Phenol Dimer and Phenol···Methanol Cases

scientific article published on 13 June 2007

Adsorption of Organic Electron Acceptors on Graphene-like Molecules: Quantum Chemical and Molecular Mechanical Study

article

Assessing the Accuracy and Performance of Implicit Solvent Models for Drug Molecules: Conformational Ensemble Approaches

article

Characteristics of a σ-Hole and the Nature of a Halogen Bond

scientific article published on 01 January 2015

Computer Modeling of Halogen Bonds and Other σ-Hole Interactions

scientific article published on 3 February 2016

Correction: The strength and directionality of a halogen bond are co-determined by the magnitude and size of the σ-hole

scientific article published on 17 August 2015

Differences in the sublimation energy of benzene and hexahalogenbenzenes are caused by dispersion energy

scientific article published on 10 May 2013

Folding of VemP into translation-arresting secondary structure is driven by the ribosome exit tunnel

scientific article published in 2022

Halogen Bonding in Nucleic Acid Complexes

scientific article

Modulation of aldose reductase inhibition by halogen bond tuning

scientific article

Molecular simulations of the ribosome and associated translation factors.

scientific article published in December 2017

On Extension of the Current Biomolecular Empirical Force Field for the Description of Halogen Bonds

scientific article published on 20 March 2012

On the reliability of the AMBER force field and its empirical dispersion contribution for the description of noncovalent complexes.

scientific article published on August 2010

Plugging the explicit σ-holes in molecular docking

scientific article

Polar Flattening and the Strength of Halogen Bonding

article

Reaction Path Averaging: Characterizing the Structural Response of the DNA Double Helix to Electron Transfer

scientific article published on 25 January 2017

Statistical analysis of σ-holes: a novel complementary view on halogen bonding

scientific article

Substrate Specificity, Inhibitor Selectivity and Structure-Function Relationships of Aldo-Keto Reductase 1B15: A Novel Human Retinaldehyde Reductase

scientific article published on 29 July 2015

The Effect of Halogen-to-Hydrogen Bond Substitution on Human Aldose Reductase Inhibition

scientific article

The Semiempirical Quantum Mechanical Scoring Function for In Silico Drug Design

scientific article published on 13 August 2013

The strength and directionality of a halogen bond are co-determined by the magnitude and size of the σ-hole

scientific article published on 30 January 2014

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