Intracellular organelles are either membrane-bound vesicles or membrane-less
compartments that are made up of proteins and RNA. These organelles play key biological …

Active systems evade the rules of equilibrium thermodynamics by constantly dissipating
energy at the level of their microscopic components. This energy flux stems from the …

All soluble proteins populate conformational ensembles that together constitute the native
state. Their fluctuations in water are intrinsic thermodynamic phenomena, and the …

In ergodic physical systems, time-averaged quantities converge (for large times) to their
ensemble-averaged values. Large deviation theory describes rare events where these time …

Conspectus Protein function is inextricably linked to protein dynamics. As we move from a
static structural picture to a dynamic ensemble view of protein structure and function, novel …

In this study, we examined the folding processes of eight helical proteins (2I9M, TC5B,
1WN8, 1V4Z, 1HO2, 1HLL, 2KFE, and 1YYB) at room temperature using the explicit solvent …

We discuss the relationships between large deviations in stochastic systems, and “effective
interactions” that induce particular rare events. We focus on the nature of these effective …

Phase separated macromolecules play essential roles in many biological and synthetic
systems. Physical characterization of these systems can be challenging because of limited …

Atomistic description of protein fibril formation has been elusive due to the complexity and
long time scales of the conformational search. Here, we develop a multiscale approach …

We introduce a variational algorithm to estimate the likelihood of a rare event within a
nonequilibrium molecular dynamics simulation through the evaluation of an optimal control …