Water regulates the residence time of Benzamidine in Trypsin

Water is an essential part of any biological system, yet many aspects of its role remain elusive. Here the authors show, in a paradigmatic ligand-protein system, that water modulates the ligand residence time in a complex and non-local way, with possible implications in drug design.

書目詳細資料
Main Authors: Narjes Ansari, Valerio Rizzi, Michele Parrinello
格式: Article
語言:English
出版: Nature Portfolio 2022-09-01
叢編:Nature Communications
在線閱讀:https://doi.org/10.1038/s41467-022-33104-3