Molecular dynamics is a powerful tool for studying the thermodynamics and kinetics of
complex molecular events. However, these simulations can rarely sample the required time …

Thermally activated energy-barrier crossing is ubiquitous in physical, chemical, and
biological processes. Most barrier-crossing attempts have insufficient energy to overcome …

Recent single-molecule experiments have observed transition paths, ie, brief events where
molecules (particularly biomolecules) are caught in the act of surmounting activation …

Thanks to the binding of various metal ions, metalloprotein plays an essential role in many
different biological processes and represents an indispensable protein subgroup. Thus, the …

Single-molecule force spectroscopy is a powerful tool for studying protein folding. Over the
last decade, a key question has emerged: how are changes in intrinsic biomolecular …

Single-molecule and single-particle tracking experiments are typically unable to resolve fine
details of thermal motion at short timescales where trajectories are continuous. We show …

Chemists visualize chemical reactions as motion along one-dimensional “reaction
coordinates” over free energy barriers. Various rate theories, such as transition state theory …

Recent advances in experimental measurements of transition path time distributions have
raised intriguing theoretical questions. The present interpretation of the experimental data …

De-novo designed proteins have received wide interest as potential platforms for nano-
engineering and biomedicine. While much work is being done in the design of …

Single-molecule observations of biomolecular dynamics and folding are commonly
rationalized using the model of diffusive dynamics on a free-energy landscape, which is …