Simple, Intuitive Calculations of Free Energy of Binding for Protein−Ligand Complexes. 3. The Free Energy Contribution of Structural Water Molecules in HIV-1 Protease Complexes-Reference-Cited by-同舟云学术

Simple, Intuitive Calculations of Free Energy of Binding for Protein−Ligand Complexes. 3. The Free Energy Contribution of Structural Water Molecules in HIV-1 Protease Complexes

Published:2004-07-29 Issue:18 Volume:47 Page:4507-4516
ISSN:0022-2623
Container-title:Journal of Medicinal Chemistry
language:en
Short-container-title:J. Med. Chem.

Author:

Fornabaio Micaela¹,Spyrakis Francesca¹,Mozzarelli Andrea¹,Cozzini Pietro¹,Abraham Donald J.¹,Kellogg Glen E.¹

Affiliation:

1. Department of Biochemistry and Molecular Biology, National Institute for the Physics of Matter, Molecular Modeling Laboratory, Department of General and Inorganic Chemistry, University of Parma, 43100 Parma, Italy, and Department of Medicinal Chemistry & Institute for Structural Biology and Drug Discovery, School of Pharmacy, Virginia Commonwealth University, Richmond, Virginia 23298-0540

Publisher

American Chemical Society (ACS)

Subject

Drug Discovery,Molecular Medicine

Link

https://pubs.acs.org/doi/pdf/10.1021/jm030596b

Reference71 articles.

1. Approaches to the Description and Prediction of the Binding Affinity of Small-Molecule Ligands to Macromolecular Receptors

2. Binding Affinity and Specificity from Computational Studies

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