Multistate approaches in computational protein design
نویسندگان
چکیده
منابع مشابه
A Generic Program for Multistate Protein Design
Some protein design tasks cannot be modeled by the traditional single state design strategy of finding a sequence that is optimal for a single fixed backbone. Such cases require multistate design, where a single sequence is threaded onto multiple backbones (states) and evaluated for its strengths and weaknesses on each backbone. For example, to design a protein that can switch between two speci...
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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, improvem...
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Computational protein design continues to experience a variety of methodological advances. Several improvements have been suggested for the objective functions used to quantify sequence/structure compatibility. Disparate design strategies based upon dead-end elimination, simulated annealing and statistical design have each recently yielded striking successes involving de novo designed proteins ...
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A long-standing goal of computational protein design is to create proteins similar to those found in Nature. One motivation is to harness the exquisite functional capabilities of proteins for our own purposes. The extent of similarity between designed and natural proteins also reports on how faithfully our models represent the selective pressures that determine protein sequences. As the field o...
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Most of the methods that have been developed for computational protein design involve the selection of side-chain conformations in the context of a single, fixed main-chain structure. In contrast, multistate design (MSD) methods allow sequence selection to be driven by the energetic contributions of multiple structural or chemical states simultaneously. This methodology is expected to be useful...
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ژورنال
عنوان ژورنال: Protein Science
سال: 2012
ISSN: 0961-8368
DOI: 10.1002/pro.2128