output
20072026
most citedComputer Modeling of Halogen Bonds and Other -Hole Interactions

653 citations

researchers with a paper here

Counting papers with at most 25 authors, so collaboration author lists do not stand in for the people here.

collaborating institutions
Showing 2017Show all

4 papers · 1 filter

physics.chem-ph2017★ 27 cited

Statistical Analysis of -Holes: A Novel Complementary View on Halogen Bonding

Michal H. Kolář, Paolo Carloni, Pavel Hobza

To contribute to the understanding of noncovalent binding of halogenated molecules with a biological activity, electrostatic potential (ESP) maps of more than 2,500 compounds were…

physics.chem-ph2017★ 62 cited

Halogen Bonding in Nucleic Acid Complexes

Michal H. Kolář, Oriana Tabarrini

Halogen bonding (X-bonding) has attracted notable attention among noncovalent interactions. This highly directional attraction between a halogen atom and an electron donor has been…

physics.chem-ph2017★ 3 cited

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

Michal H. Kolář, Tomáš Kubař

A polarizable environment, prominently the solvent, responds to electronic changes in biomolecules rapidly. The knowledge of conformational relaxation of the biomolecule itself, ho…

physics.chem-ph2017★ 653 cited

Computer Modeling of Halogen Bonds and Other -Hole Interactions

Michal H. Kolář, Pavel Hobza

In the field of noncovalent interactions a new paradigm has recently become popular. It stems from the analysis of molecular electrostatic potentials and introduces a label, which…