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Molecular simulation of protein aggregation
Author(s) -
Bratko Dusan,
Cellmer Troy,
Prausnitz John M.,
Blanch Harvey W.
Publication year - 2006
Publication title -
biotechnology and bioengineering
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.136
H-Index - 189
eISSN - 1097-0290
pISSN - 0006-3592
DOI - 10.1002/bit.21232
Subject(s) - protein aggregation , protein folding , folding (dsp implementation) , computational biology , biochemical engineering , nanotechnology , computer science , chemistry , data science , biology , materials science , biochemistry , engineering , electrical engineering
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. Biotechnol. Bioeng. 2007;96: 1–8. © 2006 Wiley Periodicals, Inc.