Highlights•Molecular dynamics is reaching longer timescales faster than Moore's law's
rate.•Improved sampling algorithms, force fields and computers drive advances.•At current …

Theory and simulations predict that the structural concert of protein folding reactions is
relatively low. Experimentally, folding cooperativity has been difficult to study, but in recent …

We demonstrate instrumentation and methods to enable fluorescence-detected
photothermal infrared (F-PTIR) microscopy and then demonstrate the utility of F-PTIR to …

Translocation of proteins is correlated with structural fluctuations that access conformational
states higher in free energy than the folded state. We use electric fields at the solid-state …

We examine the influence of cellular interactions in all‐atom models of a section of the
Homo sapiens cytoplasm on the early folding events of the three‐helix bundle protein B …

Disulfide Bonds in Protein Folding and Stability | Oxidative Folding of Proteins: Basic
Principles, Cellular Regulation and Engineering | Books Gateway | Royal Society of Chemistry …

Protein–protein and protein–water hydrogen bonding interactions play essential roles in the
way a protein passes through the transition state during folding or unfolding, but the large …

Proteins involve motions over a wide range of spatial and temporal scales. While the large
conformational changes, such as folding and functioning, are slow and appear to occur in a …

For small molecule reaction kinetics, computed reaction coordinates often mimic
experimentally measured observables quite accurately. Although nowadays simulated and …

Global conformational modulation of proteins in the presence of crowding agents is well-
known. In this work, using the intrinsic tryptophan (Trp) residues of lysozyme, we have …