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Conformer selection and induced fit in flexible backbone protein-protein docking using computational and NMR ensembles

Accommodating backbone flexibility continues to be the most difficult challenge in computational docking of protein-protein complexes. Towards that end, we simulate four distinct biophysical models of protein binding in RosettaDock, a multi-scale Monte-Carlo based algorithm that uses a quasi-kinetic...

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Autori principali: Chaudhury, Sidhartha, Gray, Jeffrey J.
Natura: Artigo
Lingua:Inglês
Pubblicazione: 2008
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Accesso online:https://ncbi.nlm.nih.gov/pmc/articles/PMC2573042/
https://ncbi.nlm.nih.gov/pubmed/18640688
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.jmb.2008.05.042
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