Binding Mode Prediction of Cytochrome P450 and Thymidine Kinase Protein−Ligand Complexes by Consideration of Water and Rescoring in Automated Docking-Reference-Cited by-同舟云学术

Binding Mode Prediction of Cytochrome P450 and Thymidine Kinase Protein−Ligand Complexes by Consideration of Water and Rescoring in Automated Docking

Published:2005-02-17 Issue:7 Volume:48 Page:2308-2318
ISSN:0022-2623
Container-title:Journal of Medicinal Chemistry
language:en
Short-container-title:J. Med. Chem.

Author:

de Graaf Chris¹,Pospisil Pavel¹,Pos Wouter¹,Folkers Gerd¹,Vermeulen Nico P. E.¹

Affiliation:

1. Leiden/Amsterdam Center for Drug Research, Division of Molecular Toxicology, Vrije Universiteit Amsterdam, De Boelelaan 1083, 1081 HV Amsterdam, The Netherlands, and Department of Chemistry and Applied Biosciences, Institute of Pharmaceutical Sciences, ETH Zürich, Winterthurerstrasse 190, 8057 Zürich, Switzerland

Publisher

American Chemical Society (ACS)

Subject

Drug Discovery,Molecular Medicine

Link

https://pubs.acs.org/doi/pdf/10.1021/jm049650u

Reference56 articles.

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

2. ConsDock: A new program for the consensus analysis of protein-ligand interactions

3. A Single Glycine Residue at the Entrance to the First Membrane-Spanning Domain of the γ-Aminobutyric Acid Type A Receptor β2 Subunit Affects Allosteric Sensitivity to GABA and Anesthetics

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