19 citations · 19 across the 1 of their papers we have counts for
2 papers
physics.bio-ph2019★ 19 cited
Variational implicit-solvent predictions of the dry-wet transition pathways for ligand-receptor binding and unbinding kinetics
Shenggao Zhou, R. Gregor Weiß, Li-Tien Cheng +3
Ligand-receptor binding and unbinding are fundamental biomolecular processes and particularly essential to drug efficacy. Environmental water fluctuations, however, impact the corr…
physics.chem-ph2016
Solvent fluctuations induce non-Markovian kinetics in hydrophobic pocket-ligand binding
R. Gregor Weiß, Piotr Setny, Joachim Dzubiella
We investigate the impact of water fluctuations on the key-lock association kinetics of a hydrophobic ligand (key) binding to a hydrophobic pocket (lock) by means of a minimalistic…