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Protein–protein docking by fast generalized Fourier transforms on 5D rotational manifolds

Energy evaluation using fast Fourier transforms (FFTs) enables sampling billions of putative complex structures and hence revolutionized rigid protein–protein docking. However, in current methods, efficient acceleration is achieved only in either the translational or the rotational subspace. Develop...

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Pubblicato in:Proc Natl Acad Sci U S A
Autori principali: Padhorny, Dzmitry, Kazennov, Andrey, Zerbe, Brandon S., Porter, Kathryn A., Xia, Bing, Mottarella, Scott E., Kholodov, Yaroslav, Ritchie, David W., Vajda, Sandor, Kozakov, Dima
Natura: Artigo
Lingua:Inglês
Pubblicazione: National Academy of Sciences 2016
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Accesso online:https://ncbi.nlm.nih.gov/pmc/articles/PMC4968711/
https://ncbi.nlm.nih.gov/pubmed/27412858
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1073/pnas.1603929113
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