Over the past few decades, the number of available structural bioinformatics pipelines,
libraries, plugins, web resources and software has increased exponentially and become …

The structure, function, and evolution of proteins depend on physical and genetic
interactions among amino acids. Recent studies have used new strategies to explore the …

Abstract AlphaFold2 (ref.) has revolutionized structural biology by accurately predicting
single structures of proteins. However, a protein's biological function often depends on …

Motivation After the outstanding breakthrough of AlphaFold in predicting protein 3D models,
new questions appeared and remain unanswered. The ensemble nature of proteins, for …

Do the amino acid sequence identities of residues that make contact across protein
interfaces covary during evolution? If so, such covariance could be used to predict contacts …

Proteins perform their biological functions through motion. Although high throughput
prediction of the three-dimensional static structures of proteins has proved feasible using …

Abstract AlphaFold2 (AF2) has revolutionized structural biology by accurately predicting
single structures of proteins and protein-protein complexes. However, biological function is …

Allosteric drug development holds promise for delivering medicines that are more selective
and less toxic than those that target orthosteric sites. To date, the discovery of allosteric …

The study of molecular evolution at the level of protein-coding genes often entails comparing
large datasets of sequences to infer their evolutionary relationships. Despite the importance …

Large-scale conformational changes are essential to link protein structures with their
function at the cell and organism scale, but have been elusive both experimentally and …