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Structural Assembly of Molecular Complexes Based on Residual Dipolar Couplings

We present and evaluate a rigid-body molecular docking method, called PATIDOCK, that relies solely on the three-dimensional structure of the individual components and the experimentally derived residual dipolar couplings (RDC) for the complex. We show that, given an accurate ab initio predictor of t...

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Bibliografiske detaljer
Main Authors: Berlin, Konstantin, O’Leary, Dianne P., Fushman, David
Format: Artigo
Sprog:Inglês
Udgivet: 2010
Fag:
Online adgang:https://ncbi.nlm.nih.gov/pmc/articles/PMC2931813/
https://ncbi.nlm.nih.gov/pubmed/20550109
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ja100447p
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