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Published December 2005 | public
Journal Article

Electrostatics in computational protein design


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.

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.

Additional details

August 22, 2023
October 23, 2023