Water Mediated Ligand Functional Group Cooperativity: The Contribution of a Methyl Group to Binding Affinity is Enhanced by a COO– Group Through Changes in the Structure and Thermodynamics of the Hydration Waters of Ligand–Thermolysin Complexes-Reference-Cited by-同舟云学术

Water Mediated Ligand Functional Group Cooperativity: The Contribution of a Methyl Group to Binding Affinity is Enhanced by a COO– Group Through Changes in the Structure and Thermodynamics of the Hydration Waters of Ligand–Thermolysin Complexes

Published:2012-09-19 Issue:19 Volume:55 Page:8283-8302
ISSN:0022-2623
Container-title:Journal of Medicinal Chemistry
language:en
Short-container-title:J. Med. Chem.

Author:

Nasief Nader N.¹,Tan Hongwei²,Kong Jing²³,Hangauer David¹

Affiliation:

1. Department of Chemistry, University at Buffalo, The State University of New York, Buffalo, New York 14260, United States

2. Center for Computational Research, New York State Center of Excellence for Bioinformatics & Life Sciences, University at Buffalo, The State University of New York, Buffalo, New York, 14203, United States

3. Q-Chem Inc., The Design Center, Suite 690 5001 Baum Boulevard, Pittsburgh, Pennsylvania 15213, United States

Publisher

American Chemical Society (ACS)

Subject

Drug Discovery,Molecular Medicine

Link

https://pubs.acs.org/doi/pdf/10.1021/jm300472k

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