Catalytic Site Prediction and Virtual Screening of Cytochrome P450 2D6 Substrates by Consideration of Water and Rescoring in Automated Docking-Reference-Cited by-同舟云学术

Catalytic Site Prediction and Virtual Screening of Cytochrome P450 2D6 Substrates by Consideration of Water and Rescoring in Automated Docking

Published:2006-03-17 Issue:8 Volume:49 Page:2417-2430
ISSN:0022-2623
Container-title:Journal of Medicinal Chemistry
language:en
Short-container-title:J. Med. Chem.

Author:

de Graaf Chris¹,Oostenbrink Chris¹,Keizers Peter H. J.¹,van der Wijst Tushar¹,Jongejan Aldo¹,Vermeulen Nico P. E.¹

Affiliation:

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

Publisher

American Chemical Society (ACS)

Subject

Drug Discovery,Molecular Medicine

Link

https://pubs.acs.org/doi/pdf/10.1021/jm0508538

Reference82 articles.

1. Keynote review: Structural biology and drug discovery

2. Protein-Based Virtual Screening of Chemical Databases. 1. Evaluation of Different Docking/Scoring Combinations

3. Comparative study of several algorithms for flexible ligand docking

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