Enthalpic Classification of Water Molecules in Target–Ligand Binding-Reference-Cited by-同舟云学术

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Enthalpic Classification of Water Molecules in Target–Ligand Binding

Published:2024-08-13 Issue:16 Volume:64 Page:6583-6595
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Szél Viktor¹,Zsidó Balázs Zoltán¹,Hetényi Csaba¹^ORCID

Affiliation:

1. Pharmacoinformatics Unit, Department of Pharmacology and Pharmacotherapy, Medical School, University of Pécs, Szigeti út 12, Pécs 7624, Hungary

Funder

Magyar Tudom?nyos Akad?mia

Governmental Information Technology Development Agency

Publisher

American Chemical Society (ACS)

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.4c00794

Reference82 articles.

1. The role of water in ligand binding

2. The Inclusion of Water Molecules in Residue Interaction Networks Identifies Additional Central Residues

3. On the ability of molecular dynamics simulation and continuum electrostatics to treat interfacial water molecules in protein-protein complexes

4. Rational Design of Potent, Bioavailable, Nonpeptide Cyclic Ureas as HIV Protease Inhibitors

5. Structural and Thermodynamic Characterization of the TYK2 and JAK3 Kinase Domains in Complex with CP-690550 and CMP-6

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