Predicting Protein-Ligand Binding and Unbinding Kinetics with Biased MD Simulations and Coarse-Graining of Dynamics: Current State and Challenges

Steffen Wolf. Predicting Protein-Ligand Binding and Unbinding Kinetics with Biased MD Simulations and Coarse-Graining of Dynamics: Current State and Challenges. Journal of Chemical Information and Computer Sciences, 63(10):2902-2910, May 2023. [doi]

Abstract

Abstract is missing.