Protein docking refinement by convex underestimation in the low-dimensional subspace of encounter complexes

We propose a novel stochastic global optimization algorithm with applications to the refinement stage of protein docking prediction methods. Our approach can process conformations sampled from multiple clusters, each roughly corresponding to a different binding energy funnel. These clusters are obta...

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Bibliografiske detaljer
Udgivet i:Sci Rep
Main Authors: Zarbafian, Shahrooz, Moghadasi, Mohammad, Roshandelpoor, Athar, Nan, Feng, Li, Keyong, Vakli, Pirooz, Vajda, Sandor, Kozakov, Dima, Paschalidis, Ioannis Ch.
Format: Artigo
Sprog:Inglês
Udgivet: Nature Publishing Group UK 2018
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Article
Online adgang:https://ncbi.nlm.nih.gov/pmc/articles/PMC5955889/
https://ncbi.nlm.nih.gov/pubmed/29650980
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/s41598-018-23982-3
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