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.
Optical recordings reveal previously unknown neuromodulator dynamics in the striatum during animal movements that suggest a new interpretation of the underpinnings of bradykinetic movements exhibited in Parkinson's Disease patients.
Telomeric TRF1 controls the transcriptional programmes of pluripotent stem cells by recruiting PRC2 to pluripotency and differentiation genes by controlling the expression of those gene sites and the binding of TERRA RNAs to them.
A combination of NMR, fluorescence, and molecular dynamics simulations reveals the recognition mechanism for the intrinsically disordered regulator of protein kinase A, highlighting the enzyme's nuclear export process.