Minimization-aware recursive K^* ( MARK^*): a novel, provable algorithm that accelerates ensemble-based protein design and provably approximates the energy landscape

DOI10.1007/978-3-030-17083-7_7MaRDI QIDQ2415249zbMATHOpenAlexFDO

Authors Jonathan D. Jou, Graham T. Holt, Anna U. Lowegard, Bruce Randall Donald

Publication date 21 May 2019

Full work available at URL https://doi.org/10.1007/978-3-030-17083-7_7

Mathematics Subject Classification ID

Protein sequences, DNA sequences (92D20) Computational methods for problems pertaining to biology (92-08)

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• A Novel Minimized Dead-End Elimination Criterion and Its Application to Protein Redesign in a Hybrid Scoring and Search Algorithm for Computing Partition Functions over Molecular Ensembles

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