Supplementary Information: BWM*: A Novel, Provable, Ensemble-based Dynamic Programming Algorithm for Sparse Approximations of Computational Protein Design
نویسندگان
چکیده
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 Section A.3, an overview of the BWM∗ algorithm and its time complexity are provided. Section A.4 gives a proof showing that BWM∗ computes the full GMEC and the full ensemble. Section A.5 describes the required data structures to reduce the space complexity, giving proofs of correctness, and consequently the space complexity. Finally, Section A.5 combines these proofs into Theorem 6.
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BWM*: A Novel, Provable, Ensemble-Based Dynamic Programming Algorithm for Sparse Approximations of Computational Protein Design
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