Proteins are dynamic entities that undergo a plethora of conformational changes that may
take place on a wide range of time scales. These changes can be as small as the rotation of …

Investigation of macromolecular structure and dynamics is fundamental to understanding
how macromolecules carry out their functions in the cell. Significant advances have been …

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 …

Highlights•Coarse-grained models are reduced representations of all-atom models that aim
to retain the essential molecular aspects for the system of interest.•Coarse-grained …

The anisotropic network model (ANM) is one of the simplest yet powerful tools for exploring
protein dynamics. Its main utility is to predict and visualize the collective motions of large …

The dimeric FXIII-A2, a pro-transglutaminase is the catalytic part of the heterotetrameric
coagulation FXIII-A2B2 complex that upon activation by calcium binding/thrombin cleavage …

Allosteric regulation, the most direct and efficient way of regulating protein function, is
induced by the binding of a ligand at one site that is topographically distinct from an …

P-type ATPases transport ions across biological membranes against concentration
gradients and are essential for all cells. They use the energy from ATP hydrolysis to propel …

Diabetic retinopathy (DR) is the most frequent complication of diabetes and one of leading
causes of blindness worldwide. Early phases of DR are characterized by retinal pericyte loss …

Abstract Store‐operated Ca2+ entry (SOCE) machinery, including Orai channels, TRPCs,
and STIM1, is key to cellular calcium homeostasis. The following characteristics of …