Prediction of allosteric sites and mediating interactions through bond-to-bond propensities

Allostery is a fundamental mechanism of biological regulation, in which binding of a molecule at a distant location affects the active site of a protein. Allosteric sites provide targets to fine-tune protein activity, yet we lack computational methodologies to predict them. Here we present an effici...

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Bibliographic Details
Main Authors: Amor, B, Schaub, M, Yaliraki, S, Barahona, M
Format: Journal article
Published: Springer Nature 2016