BWM*: A Novel, Provable, Ensemble-based Dynamic Programming Algorithm for Sparse Approximations of Computational Protein Design
نویسندگان
چکیده
منابع مشابه
BWM*: A Novel, Provable, Ensemble-Based Dynamic Programming Algorithm for Sparse Approximations of Computational Protein Design
Sparse energy functions that ignore long range interactions between residue pairs are frequently used by protein design algorithms to reduce computational cost. Current dynamic programming algorithms that fully exploit the optimal substructure produced by these energy functions only compute the GMEC. This disproportionately favors the sequence of a single, static conformation and overlooks bett...
متن کاملSupplementary Information: BWM*: A Novel, Provable, Ensemble-based Dynamic Programming Algorithm for Sparse Approximations of Computational Protein Design
The following section details the proofs used to bound the time and space complexity of BWM∗, and the details of the BWM∗ algorithm (described in Section 3) of the main paper. Section A.1 describes the time complexity to compute TESS before running BWM∗ or A∗, which allows protein designers to select the most efficient algorithm for their particular protein design problem. In Section A.2 and Se...
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ژورنال
عنوان ژورنال: Journal of Computational Biology
سال: 2016
ISSN: 1066-5277,1557-8666
DOI: 10.1089/cmb.2015.0194