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Dead-End Elimination with Perturbations (“DEEPer”): A provable protein design algorithm with continuous sidechain and backbone flexibility

Computational protein and drug design generally require accurate modeling of protein conformations. This modeling typically starts with an experimentally-determined protein structure and considers possible conformational changes due to mutations or new ligands. The DEE/A* algorithm provably finds th...

詳細記述

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書誌詳細
主要な著者: Hallen, Mark A., Keedy, Daniel A., Donald, Bruce R.
フォーマット: Artigo
言語:Inglês
出版事項: 2012
主題:
オンライン・アクセス:https://ncbi.nlm.nih.gov/pmc/articles/PMC3491125/
https://ncbi.nlm.nih.gov/pubmed/22821798
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/prot.24150
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