A Perspective on Water Site Prediction Methods for Structure Based Drug Design-Reference-Cited by-同舟云学术

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A Perspective on Water Site Prediction Methods for Structure Based Drug Design

Published:2017-08-08 Issue:23 Volume:17 Page:
ISSN:1568-0266
Container-title:Current Topics in Medicinal Chemistry
language:en
Short-container-title:CTMC

Author:

Graves Alan P.¹,Wall Ian D.²,Edge Colin M.³,Woolven James M.²,Cui Guanglei³,Le Gall Armelle²,Hong Xuan³,Raha Kaushik³,Manas Eric S.³

Affiliation:

1. GlaxoSmithKline, 1250 S. Collegeville Road, Collegeville, PA 19426, United States

2. Platform Technology and Science, GlaxoSmithKline, Stevenage, SG1 2NY, United States

3. Platform Technology and Science, GlaxoSmithKline, Collegeville, PA 19426, United States

Publisher

Bentham Science Publishers Ltd.

Subject

Drug Discovery,General Medicine

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2. WaterKit: Thermodynamic Profiling of Protein Hydration Sites;Journal of Chemical Theory and Computation;2023-04-24

3. Discovery, Design, and Development of effective and stable binding compounds for mutant EGFR inhibition;Letters in Drug Design & Discovery;2022-06-13

4. Water molecules at protein–drug interfaces: computational prediction and analysis methods;Chemical Society Reviews;2021

5. Replacement of Protein Binding-Site Waters Contributes to Favorable Halogen Bond Interactions;Journal of Chemical Information and Modeling;2019-06-12

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