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About: Protein-Ligand Docking, Including Flexible Receptor-Flexible Ligand Docking

Module by: Lydia E. Kavraki

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Name: Protein-Ligand Docking, Including Flexible Receptor-Flexible Ligand Docking
ID: m11456
Language: English (en)
Summary: This module provides a high-level introduction to the field of protein-ligand docking, then provides examples of a few rigid-receptor docking methods, and introduces some techniques which are being developed to allow receptor flexibility.
Subject: Science and Technology
Keywords: binding, binding affinity, complex, docking, flexibility, flexible, ligand, molecular, protein, receptor, scoring function
Document Type: -//CNX//DTD CNXML 0.5 plus MathML//EN
License: Creative Commons Attribution License CC-BY 1.0
Authors: Lydia E. Kavraki (kavraki@rice.edu)
Copyright Holders: Lydia E. Kavraki (kavraki@rice.edu)
Maintainers: Lydia E. Kavraki (kavraki@rice.edu), Amarda Shehu (shehua@cs.rice.edu), David Schwarz (dschwarz@rice.edu), Hernan Stamati (hstamati@cs.rice.edu)
Version: 1.10 (history)
Created: Jul 16, 2003 9:20 pm GMT-5
Revised: Mar 22, 2007 4:30 pm GMT-5

Version History

Version: 1.10 Mar 22, 2007 4:30 pm GMT-5 by Hernan Stamati
Changes: 
Resized images.
Version: 1.9 Sep 14, 2006 5:08 pm GMT-5 by Amarda Shehu
Changes: 
added a recent Proteins 2006 paper on all existing docking software.
Version: 1.8 Sep 14, 2006 5:05 pm GMT-5 by Amarda Shehu
Changes: 
added a very recent Proteins 2006 overview of docking software.
Version: 1.7 May 9, 2006 6:36 pm GMT-5 by David Schwarz
Changes: 
Changed title.
Version: 1.6 May 8, 2006 3:57 pm GMT-5 by David Schwarz
Changes: 
Combined rigid and flexible receptor modules.  Added link to Teodoro/Kavraki review of receptor flexibility.  Combined references.  Rewrote rigid receptor content.
Version: 1.5 Mar 23, 2006 4:34 pm US/Central by Chuck Bearden
Changes: 
Publishing to make new roles effective.
Version: 1.4 Jul 21, 2003 1:31 pm GMT-5 by Amarda Shehu
Changes: 
fixed distorted figures and math symbols
Version: 1.3 Jul 18, 2003 3:57 pm GMT-5 by Amarda Shehu
Changes: 
fixed figure distortions
Version: 1.2 Jul 17, 2003 1:22 pm GMT-5 by Amarda Shehu
Changes: 
fixed he links
Version: 1.1 Jul 16, 2003 10:45 pm GMT-5 by Amarda Shehu
Changes: 
Content, pictures finished.  Bibliography and links need to be added.

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The following citation styles comply with the attribution requirements for the license (CC-BY 1.0) of this work:

American Chemical Society (ACS) Style Guide:

Kavraki, L. Protein-Ligand Docking, Including Flexible Receptor-Flexible Ligand Docking, Connexions Web site. http://cnx.org/content/m11456/1.10/, Mar 22, 2007.

American Medical Assocation (AMA) Manual of Style:

Kavraki L. Protein-Ligand Docking, Including Flexible Receptor-Flexible Ligand Docking [Connexions Web site]. March 22, 2007. Available at: http://cnx.org/content/m11456/1.10/.

American Psychological Assocation (APA) Publication Manual:

Kavraki, L. (2007, March 22). Protein-Ligand Docking, Including Flexible Receptor-Flexible Ligand Docking. Retrieved from the Connexions Web site: http://cnx.org/content/m11456/1.10/

Chicago Manual of Style (Bibliography):

Kavraki, Lydia. "Protein-Ligand Docking, Including Flexible Receptor-Flexible Ligand Docking." Connexions. March 22, 2007. http://cnx.org/content/m11456/1.10/.

Chicago Manual of Style (Note):

Lydia Kavraki, "Protein-Ligand Docking, Including Flexible Receptor-Flexible Ligand Docking," Connexions, March 22, 2007, http://cnx.org/content/m11456/1.10/.

Chicago Manual of Style (Reference, in Author-Date style):

Kavraki, L. 2007. Protein-Ligand Docking, Including Flexible Receptor-Flexible Ligand Docking. Connexions, March 22, 2007. http://cnx.org/content/m11456/1.10/.

Modern Languages Association (MLA) Style Manual:

Kavraki, Lydia. Protein-Ligand Docking, Including Flexible Receptor-Flexible Ligand Docking. Connexions. 22 Mar. 2007 <http://cnx.org/content/m11456/1.10/>.