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Minimization-Aware Recursive K*: A Novel, Provable Algorithm that Accelerates Ensemble-Based Protein Design and Provably Approximates the Energy Landscape

Protein design algorithms that model continuous sidechain flexibility and conformational ensembles better approximate the in vitro and in vivo behavior of proteins. The previous state of the art, iMinDEE-A*-K*, computes provable ɛ-approximations to partition functions of protein states (e.g., bound...

詳細記述

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書誌詳細
出版年:J Comput Biol
主要な著者: Jou, Jonathan D., Holt, Graham T., Lowegard, Anna U., Donald, Bruce R.
フォーマット: Artigo
言語:Inglês
出版事項: Mary Ann Liebert, Inc., publishers 2020
主題:
オンライン・アクセス:https://ncbi.nlm.nih.gov/pmc/articles/PMC7185359/
https://ncbi.nlm.nih.gov/pubmed/31855059
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1089/cmb.2019.0315
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