On the Role of Water Models in Quantifying the Binding Free Energy of Highly Conserved Water Molecules in Proteins: The Case of Concanavalin A
Author:
Affiliation:
1. School of Chemistry, National University of Ireland Galway, University Rd, Galway, Ireland
2. University of Georgia, Complex Carbohydrate Research Center, 315 Riverbend Rd, Athens, Georgia 30602, United States
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/ct200404z
Reference40 articles.
1. Glycobiology: Toward Understanding the Function of Sugars
2. Lectin Structure
3. Lectins: Carbohydrate-Specific Proteins That Mediate Cellular Recognition
4. The Role of Water Molecules in Computational Drug Design
5. Energetics of Displacing Water Molecules from Protein Binding Sites: Consequences for Ligand Optimization
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