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Electrostatics in computational protein design

Vizcarra, Christina L. and Mayo, Stephen L. (2005) Electrostatics in computational protein design. Current Opinion in Chemical Biology, 9 (6). pp. 622-626. ISSN 1367-5931. doi:10.1016/j.cbpa.2005.10.014.

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Catalytic activity and protein-protein recognition have proven to be significant challenges for computational protein design. Electrostatic interactions are crucial for these and other protein functions, and therefore accurate modeling of electrostatics is necessary for successfully advancing protein design into the realm of protein function. This review focuses on recent progress in modeling electrostatic interactions in computational protein design, with particular emphasis on continuum models.

Item Type:Article
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URLURL TypeDescription DOIArticle
Mayo, Stephen L.0000-0002-9785-5018
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Additional Information:© 2005 Elsevier Ltd. Available online 28 October 2005. This work was funded by Howard Hughes Medical Institute, the Ralph M Parsons Foundation, the Defense Advanced Research Projects Agency, the Institute for Collaborative Biotechnologies (grant DAAD19-03-D-0004 from the US Army Research Office) (SLM), and the National Science Foundation (CLV). We wish to thank Benjamin D Allen for comments on the manuscript.
Funding AgencyGrant Number
Howard Hughes Medical Institute (HHMI)UNSPECIFIED
Ralph M. Parsons FoundationUNSPECIFIED
Army Research Office (ARO)DAAD19-03-D-0004
Defense Advanced Research Projects Agency (DARPA)UNSPECIFIED
Subject Keywords:Computer Simulation; Models: Theoretical; Protein Conformation; Proteins; Static Electricity
Issue or Number:6
Record Number:CaltechAUTHORS:20110620-160432503
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Official Citation:Christina L Vizcarra, Stephen L Mayo, Electrostatics in computational protein design, Current Opinion in Chemical Biology, Volume 9, Issue 6, December 2005, Pages 622-626, ISSN 1367-5931, 10.1016/j.cbpa.2005.10.014.
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:24116
Deposited By: Marie Ary
Deposited On:27 Sep 2011 20:17
Last Modified:09 Nov 2021 16:20

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