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About: Molecular Shapes and Surfaces

Module by: Lydia E. Kavraki. E-mail the author

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Metadata

Name: Molecular Shapes and Surfaces
ID: m11616
Language: English (en)
Summary: This module introduces students to a family of algorithms for assessing molecular shape, volume, surface area, and negative space (i.e., pockets and cavities).
Subject: Science and Technology
Keywords: Alpha Shapes, Cavity, Delaunay Complex, Delaunay Triangulation, Molecule, Pocket, Point Set, Protein, Shape, Surface, Voronoi Diagrams
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)
Latest version: 1.10 (history)
First publication date: Sep 23, 2003 9:10 pm GMT-5
Last revision to module: Jun 11, 2007 5:04 am GMT-5
Module XML: m11616_1.10.cnxml

Version History

Version: 1.10 Jun 11, 2007 5:04 am GMT-5 by Hernan Stamati
Changes: 
.
Version: 1.9 Mar 22, 2007 3:41 pm GMT-5 by Hernan Stamati
Changes: 
Reduced size of some images.
Version: 1.8 Mar 10, 2007 6:40 pm US/Central by Hernan Stamati
Changes: 
Added suggested edits.
Version: 1.7 May 9, 2006 8:03 pm GMT-5 by David Schwarz
Changes: 
Edited, added references.
Version: 1.6 May 9, 2006 4:09 pm GMT-5 by David Schwarz
Changes: 
Minor.
Version: 1.5 Mar 30, 2006 4:56 pm US/Central by Hernan Stamati
Changes: 
Fixed index links.
Version: 1.4 Mar 28, 2006 10:30 pm US/Central by David Schwarz
Changes: 
Added illustration of overlapping balls.
Version: 1.3 Mar 28, 2006 7:30 pm US/Central by David Schwarz
Changes: 
Replacement of old module with Molecular Shapes and Surfaces / alpha shapes module.
Version: 1.2 Mar 23, 2006 4:30 pm US/Central by Chuck Bearden
Changes: 
Publishing to make new roles effective.
Version: 1.1 Sep 23, 2003 9:14 pm GMT-5 by Amarda Shehu
Changes: 
created module

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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. Molecular Shapes and Surfaces, Connexions Web site. http://cnx.org/content/m11616/1.10/, Jun 11, 2007.

American Medical Assocation (AMA) Manual of Style:

Kavraki L. Molecular Shapes and Surfaces [Connexions Web site]. June 11, 2007. Available at: http://cnx.org/content/m11616/1.10/.

American Psychological Assocation (APA) Publication Manual:

Kavraki, L. (2007, June 11). Molecular Shapes and Surfaces. Retrieved from the Connexions Web site: http://cnx.org/content/m11616/1.10/

Chicago Manual of Style (Bibliography):

Kavraki, Lydia. "Molecular Shapes and Surfaces." Connexions. June 11, 2007. http://cnx.org/content/m11616/1.10/.

Chicago Manual of Style (Note):

Lydia Kavraki, "Molecular Shapes and Surfaces," Connexions, June 11, 2007, http://cnx.org/content/m11616/1.10/.

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

Kavraki, L. 2007. Molecular Shapes and Surfaces. Connexions, June 11, 2007. http://cnx.org/content/m11616/1.10/.

Modern Languages Association (MLA) Style Manual:

Kavraki, Lydia. Molecular Shapes and Surfaces. Connexions. 11 June 2007 <http://cnx.org/content/m11616/1.10/>.