HADDOCK(2P2I): A Biophysical Model for Predicting the Binding Affinity of Protein–Protein Interaction Inhibitors

[Image: see text] The HADDOCK score, a scoring function for both protein–protein and protein-nucleic acid modeling, has been successful in selecting near-native docking poses in a variety of cases, including those of the CAPRI blind prediction experiment. However, it has yet to be optimized for smal...

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Main Authors: Kastritis, Panagiotis L., Rodrigues, João P. G. L. M., Bonvin, Alexandre M. J. J.
Format: Artigo
Sprog:Inglês
Udgivet: American Chemical Society 2014
Online adgang:https://ncbi.nlm.nih.gov/pmc/articles/PMC3966529/
https://ncbi.nlm.nih.gov/pubmed/24521147
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ci4005332
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