Attempting Well-Tempered Funnel Metadynamics Simulations for the Evaluation of Binding Kinetics of Methionine Aminopeptidase-II Inhibitors
收藏NIAID Data Ecosystem2026-05-01 收录
数据链接：
官方服务：
资源简介：
Funnel-based restraint well-tempered metadynamics simulations were applied to predict residence time of two ligands bound to MetAP-II, along with ligand association and dissociation mechanism involving the identification of binding hotspot during ligands’ egressing.
创建时间：
2023-07-25
