Proteins have dynamic structures that undergo chain motions on time scales spanning from
picoseconds to seconds. Resolving the resultant conformational heterogeneity is essential …

Controlling the activity of proteins with azobenzene photoswitches is a potent tool for
manipulating their biological function. With the help of light, it is possible to change binding …

The atomistic description of the folding process of a structureless chain of amino acids to a
functioning protein is still considered to be a challenge for computational biophysics. An in …

This chapter overviews the computational techniques and theoretical models used for
exploring structure and dynamics of complex biomolecular systems at the atomistic level of …