Molecular simulation of protein aggregation.

Dusan Bratko; Troy Cellmer; John M Prausnitz; Harvey W Blanch

doi:10.1002/bit.21232

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PubMed · 17136749

Molecular simulation of protein aggregation.

Dusan Bratko·Troy Cellmer·John M Prausnitz·Harvey W Blanch

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Abstract

Computer simulation offers unique possibilities for investigating molecular-level phenomena difficult to probe experimentally. Drawing from a wealth of studies concerning protein folding, computational studies of protein aggregation are emerging. These studies have been successful in capturing aspects of aggregation known from experiment and are being used to refine experimental methods aimed at abating aggregation. Here we review molecular-simulation studies of protein aggregation conducted in our laboratory. Specific attention is devoted to issues with implications for biotechnology.

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Binding Sites Computer Simulation Dimerization Multiprotein Complexes Protein Binding Protein Conformation Protein Folding Proteins Sequence Analysis, Protein Journal Article Research Support, Non-U.S. Gov't Research Support, U.S. Gov't, Non-P.H.S.Review

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Dusan Bratko, Troy Cellmer, John M Prausnitz, Harvey W Blanch. 2007-01-01. Molecular simulation of protein aggregation.. https://doi.org/10.1002/bit.21232

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