What are the molecular determinants of protein–protein binding affinity and whether they are
similar to those regulating fold stability are two major questions of molecular biology, whose …

It has been recognized in the last few years that unstructured proteins play an important role
in biological organisms, often participating in signal transduction, transcriptional regulation …

Understanding the mechanisms driving bio-molecules binding and determining the resulting
complexes' stability is fundamental for the prediction of binding regions, which is the starting …

The goal of controlling protein thermostability is tackled here through establishing, by in
silico analyses, the relative weight of residue-residue interactions in proteins as a function of …

A major goal in ligand and drug design is the optimization of the binding affinity of selected
lead molecules. However, the binding affinity is defined by the free energy of binding, which …

The significant work that has been invested toward understanding protein− protein
interaction has not translated into significant advances in structure-based predictions. In …

For many years, the ability to predict protein stability or protein function from structure has
been considered a major scientific goal with significant practical implications in protein …

Predicting protein-binding affinities of small molecules, even closely related ones, is a
formidable challenge in biomolecular recognition and medicinal chemistry. A …

The temperature dependence of the interactions that stabilize protein structures is a long-
standing issue, the elucidation of which would enable the prediction and the rational …

In a previous paper, we described a novel empirical free energy function that was used to
accurately predict experimental binding free energies for a diverse test set of 31 protein …