Search Result "flexible ligand docking"


Receptor Flexibility in Ligand Docking and Virtual Screening

Ebook: In Silico Lead Discovery
Volume: 1 Year: 2011
Author(s): Maria A. Miteva,Charles H. Robert,Jean Didier Marechal,David Perahia
Doi: 10.2174/978160805142711101010099

The Challenge of Considering Receptor Flexibility in Ligand Docking and Virtual Screening

Journal: Current Computer-Aided Drug Design
Volume: 1 Issue: 4 Year: 2005 Page: 423-440
Author(s): Claudio N. Cavasotto, Andrew J.W. Orry, Ruben A. Abagyan

Research Article

A-RFP: An Adaptive Residue Flexibility Prediction Method Improving Protein-ligand Docking Based on Homologous Proteins

Journal: Current Bioinformatics
Volume: 19 Issue: 10 Year: 2024 Page: 908-918
Author(s):

Hierarchical Docking of Databases of Multiple Ligand Conformations

Journal: Current Topics in Medicinal Chemistry
Volume: 5 Issue: 8 Year: 2005 Page: 739-749
Author(s): David M. Lorber, Brian K. Shoichet

How to Efficiently Include Receptor Flexibility During Computational Docking

Journal: Current Computer-Aided Drug Design
Volume: 4 Issue: 2 Year: 2008 Page: 143-153
Author(s): Andreas May, Florian Sieker, Martin Zacharias

Ligand Docking and Structure-based Virtual Screening in Drug Discovery

Journal: Current Topics in Medicinal Chemistry
Volume: 7 Issue: 1 Year: 2007 Page: 1006-1014
Author(s): Claudio N. Cavasotto, Andrew J. W. Orry

Docking and High Throughput Docking: Successes and the Challenge of Protein Flexibility

Journal: Current Computer-Aided Drug Design
Volume: 4 Issue: 3 Year: 2008 Page: 221-234
Author(s): Claudio N. Cavasotto, Narender Singh

Review Article

Advances in Docking

Journal: Current Medicinal Chemistry
Volume: 26 Issue: 42 Year: 2019 Page: 7555-7580
Author(s): Vladimir B. Sulimov,Danil C. Kutov,Alexey V. Sulimov

Explicit Treatment of Water Molecules in Protein-Ligand Docking

Journal: Current Computer-Aided Drug Design
Volume: 5 Issue: 3 Year: 2009 Page: 145-154
Author(s): Oscar Villacanas, Sergio Madurga, Ernest Giralt, Ignasi Belda

Protein Flexibility and Ligand Recognition: Challenges for Molecular Modeling

Journal: Current Topics in Medicinal Chemistry
Volume: 11 Issue: 2 Year: 2011 Page: 192-210
Author(s): Francesca Spyrakis, Axel BidonChanal, Xavier Barril, F. Javier Luque

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