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Curr Opin Biotechnol. 2007 Aug;18(4):305-11. Epub 2007 Jul 20.

Progress in computational protein design.

Author information

  • 1Department of Chemical Engineering, Massachusetts Institute of Technology, 77 Massachusetts Avenue, Cambridge, MA 02139, USA. lippow@alum.mit.edu

Abstract

Current progress in computational structure-based protein design is reviewed in the areas of methodology and applications. Foundational advances include new potential functions, more efficient ways of computing energetics, flexible treatments of solvent, and useful energy function approximations, as well as ensemble-based approaches to scoring designs for inclusion of entropic effects, improvements to guaranteed and to stochastic search techniques, and methods to design combinatorial libraries for screening and selection. Applications include new approaches and successes in the design of specificity for protein folding, binding, and catalysis, in the redesign of proteins for enhanced binding affinity, and in the application of design technology to study and alter enzyme catalysis. Computational protein design continues to mature and advance.

PMID:
17644370
PMCID:
PMC3495006
DOI:
10.1016/j.copbio.2007.04.009
[PubMed - indexed for MEDLINE]
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