Journal article
Computer Simulation of Protein−Protein Interactions
The journal of physical chemistry. B, Vol.105(8), pp.1504-1518
03/01/2001
DOI: 10.1021/jp003602d
Abstract
The use of computer simulations in investigations of protein-protein interactions is discussed. First, crystallographic analyses of known protein-protein complexes are summarized with particular emphasis being placed on the atomic nature of the interactions. Models available for describing macromolecular association energetics are then discussed, with special reference to the treatment of electrostatic and nonpolar interactions. The use of these models in combination with efficient search methods is discussed in the context of the so-called protein docking problem and in the description of weaker (i.e., noncrystallizable) protein-protein interactions. Finally, simulations of the dynamics of protein-protein association events are outlined. In all cases, differences are stressed between the atomically detailed view of protein-protein interactions and the view implicit in the use of simpler colloidal models. © 2001 American Chemical Society.
Details
- Title: Subtitle
- Computer Simulation of Protein−Protein Interactions
- Creators
- Adrian H. Elcock - University of California San DiegoDavid Sept - Department of Biochemistry, University of Iowa, Iowa City, Iowa 52242-1109, Howard Hughes Medical Institute, Department of Chemistry and Biochemistry, Department of Pharmacology, University of California at San Diego, La Jolla, California 92093-0365J. Andrew McCammon - University of California San Diego
- Resource Type
- Journal article
- Publication Details
- The journal of physical chemistry. B, Vol.105(8), pp.1504-1518
- DOI
- 10.1021/jp003602d
- NLM abbreviation
- J Phys Chem B
- ISSN
- 1520-6106
- eISSN
- 1520-5207
- Publisher
- American Chemical Society
- Language
- English
- Date published
- 03/01/2001
- Academic Unit
- Physics and Astronomy; Biochemistry and Molecular Biology
- Record Identifier
- 9984293076702771
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