Article
Expanding the frontiers of protein-protein modeling: from docking and scoring to binding affinity predictions and other challenges.
Proteins - 1 Dec 2013
Pallara Chiara, Jiménez-García Brian, Pérez-Cano Laura, Romero-Durana Miguel, Solernou Albert, Grosdidier Solène, Pons Carles, Moal Iain H, Fernandez-Recio Juan
Abstract excerpt
In addition to protein-protein docking, this CAPRI edition included new challenges, like protein-water and protein-sugar interactions, or the prediction of binding affinities and ΔΔG changes upon mutation. Regarding the standard protein-protein docking cases, our approach, mostly based on the pyDock scheme, submitted correct models as predictors and as scorers for 67% and 57% of the evaluated targets,...
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