Role of Water in Molecular Docking Simulations of Cytochrome P450 2D6-Reference-Cited by-同舟云学术

Role of Water in Molecular Docking Simulations of Cytochrome P450 2D6

Published:2009-11-09 Issue:1 Volume:50 Page:146-154
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Santos Rita¹,Hritz Jozef¹,Oostenbrink Chris¹

Affiliation:

1. Leiden-Amsterdam Center for Drug Research, Section of Molecular Toxicology, Department of Chemistry and Pharmaceutical Sciences, Vrije Universiteit, De Boelelaan 1083, 1081 HV Amsterdam, The Netherlands

Publisher

American Chemical Society (ACS)

Subject

Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/ci900293e

Reference41 articles.

1. Just add water! The effect of water on the specificity of protein-ligand binding sites and its potential application to drug design

2. Protein Dynamics Tightly Connected to the Dynamics of Surrounding and Internal Water Molecules

3. Water: How to evaluate its contribution in protein-ligand interactions

4. Hydration in drug design. 1. Multiple hydrogen-bonding features of water molecules in mediating protein-ligand interactions

5. Hydration in drug design. 2. Influence of local site surface shape on water binding

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