Shifts in the balance between nucleotide-favorable and nucleotide-unfavorable conformations of myosin motors encode duty ratios and ADP release rates, demonstrating the power of an ensemble perspective for uncovering sequence-function relationships.
A general machine learning scheme for integrating time-series data from single-molecule experiments and molecular dynamics simulations is proposed and successfully demonstrated for the folding dynamics of the WW domain.
Combining powerful simulation methods uncovers the structural and dynamical changes driving G protein activation in atomic detail, revealing the allosteric network that triggers GDP release and reconciling diverse experimental data.
Crawling Drosophila larvae and C. elegans exhibit diffusive behavior alongside directed motion, and the dynamics of this navigation can be analyzed with techniques developed in understanding protein folding, using a Markov state model.
An analysis of review, promotion and tenure documents from 129 US and Canadian universities suggests institutions could better fulfill their public missions by changing how they incentivize the public dimensions of faculty work.