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• W1990759986 abstract "Computational protein design (CPD) is a useful tool for protein engineers. It has been successfully applied towards the creation of proteins with increased thermostability, improved binding affinity, novel enzymatic activity, and altered ligand specificity. Traditionally, CPD calculations search and rank sequences using a single fixed protein backbone template in an approach referred to as single-state design (SSD). While SSD has enjoyed considerable success, certain design objectives require the explicit consideration of multiple conformational and/or chemical states. Cases where a multistate approach may be advantageous over the SSD approach include designing conformational changes into proteins, using native ensembles to mimic backbone flexibility, and designing ligand or oligomeric association specificities. These design objectives can be efficiently tackled using multistate design (MSD), an emerging methodology in CPD that considers any number of protein conformational or chemical states as inputs instead of a single protein backbone template, as in SSD. In this review article, recent examples of the successful design of a desired property into proteins using MSD are described. These studies employing MSD are divided into two categories--those that utilized multiple conformational states, and those that utilized multiple chemical states. In addition, the scoring of competing states during negative design is discussed as a current challenge for MSD." @default.
• W1990759986 created "2016-06-24" @default.
• W1990759986 creator A5001218668 @default.
• W1990759986 creator A5070176022 @default.
• W1990759986 date "2012-08-10" @default.
• W1990759986 modified "2023-10-05" @default.
• W1990759986 title "Multistate approaches in computational protein design" @default.
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• W1990759986 doi "https://doi.org/10.1002/pro.2128" @default.
• W1990759986 hasPubMedCentralId "https://www.ncbi.nlm.nih.gov/pmc/articles/3631354" @default.
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