机译:Kinetics of protein-ligand unbinding: Predicting pathways, rates, and rate-limiting steps
ETH, Dept Chem & Appl Biosci, CH-8006 Zurich, Switzerland;
Univ Svizzera Italiana, Fac Informat, Inst Computat Sci, CH-6900 Lugano, Switzerland;
protein-ligand unbinding; kinetics; enhanced sampling; drug design;