62 citations · 65 across the 2 of their papers we have counts for
2 papers
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…
cond-mat.mtrl-sci2010★ 62 cited
Structural stability versus conformational sampling in biomolecular systems: Why is the charge transfer efficiency in G4-DNA better than in double-stranded DNA?
P. Benjamin Woiczikowski, Tomáš Kubař, Rafael Gutiérrez +2
The electrical conduction properties of G4-DNA are investigated using a hybrid approach, which combines electronic structure calculations, molecular dynamics (MD) simulations, and…