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

DOI10.1007/11732990_44MaRDI QIDQ3596320zbMATH OpenOpenAlexFDO

Authors Ivelin Georgiev, Ryan H. Lilien, Bruce Randall Donald

Publication date 30 August 2007

Published in Lecture Notes in Computer Science (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1007/11732990_44

zbMATH Keywords

global minimum energy conformationdead-end eliminationprotein redesign

Mathematics Subject Classification ID

Protein sequences, DNA sequences (92D20)

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(3)

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• Self-consistent ensemble optimization and its implementation for mutation analysis in proteins
• Computational protein design as an optimization problem

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