A critical analysis of computational protein design with sparse residue interaction graphs.

PLOS COMPUTATIONAL BIOLOGY, no. 3 (2017)

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Abstract:

Protein design algorithms enumerate a combinatorial number of candidate structures to compute the Global Minimum Energy Conformation (GMEC). To efficiently find the GMEC, protein design algorithms must methodically reduce the conformational search space. By applying distance and energy cutoffs, the protein system to be designed can thus b...More

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