Entropy redistribution controls allostery in a metalloregulatory protein

DA Capdevila, JJ Braymer… - Proceedings of the …, 2017 - National Acad Sciences
Allosteric communication between two ligand-binding sites in a protein is a central aspect of
biological regulation that remains mechanistically unclear. Here we show that perturbations …

Vibrational entropy estimation can improve binding affinity prediction for non‐obligatory protein complexes

T Škrbić, S Zamuner, R Hong, F Seno… - Proteins: Structure …, 2018 - Wiley Online Library
Predicting the binding affinity between protein monomers is of paramount importance for the
understanding of thermodynamical and structural factors that guide the formation of a …

Optimal allosteric stabilization sites using contact stabilization analysis

A Dickson, CT Bailey… - Journal of computational …, 2017 - Wiley Online Library
Proteins can be destabilized by a number of environmental factors such as temperature, pH,
and mutation. The ability to subsequently restore function under these conditions by adding …