1. Fast search algorithms for computational protein design.
- Author
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Traoré, Seydou, Roberts, Kyle E., Allouche, David, Donald, Bruce R., André, Isabelle, Schiex, Thomas, and Barbe, Sophie
- Subjects
SEARCH algorithms ,PROTEIN engineering ,AMINO acid sequence ,COMBINATORIAL optimization ,COST functions ,ALGORITHMS - Abstract
One of the main challenges in computational protein design (CPD) is the huge size of the protein sequence and conformational space that has to be computationally explored. Recently, we showed that state-of-the-art combinatorial optimization technologies based on Cost Function Network (CFN) processing allow speeding up provable rigid backbone protein design methods by several orders of magnitudes. Building up on this, we improved and injected CFN technology into the well-established CPD package Osprey to allow all Osprey CPD algorithms to benefit from associated speedups. Because Osprey fundamentally relies on the ability of [ABSTRACT FROM AUTHOR]
- Published
- 2016
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