Uncovering water effects in protein–ligand recognition: importance in the second hydration shell and binding kinetics
Author:
Affiliation:
1. School of Pharmacy, Fuzhou Medical College of NanChang University, Fuzhou, JiangXi 344000, P. R. China
2. Department of Chemistry, University of California at Riverside, Riverside, CA 92521, USA
Abstract
Funder
National Institutes of Health
Publisher
Royal Society of Chemistry (RSC)
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://pubs.rsc.org/en/content/articlepdf/2023/CP/D2CP04584B
Reference82 articles.
1. Water at Interfaces: Its Behavior and Roles in Interfacial Phenomena
2. Water in protein hydration and ligand recognition
3. Accounting for water molecules in drug design
4. Enhancing Sampling of Water Rehydration on Ligand Binding: A Comparison of Techniques
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