Glen M. Hocky

This study uses cryo-EM and myosin motors to show that wild-type α-actinin-4 forms two binding states with F-actin, while the K255E variant only forms strong bonds, revealing a force-induced transition mechanism for catch bonding.

This paper provides a tutorial on using ShapeGMM to cluster and sample biomolecular conformations from molecular dynamics simulations.

This study evaluates the quality of machine learned reaction coordinates using the gamma metric and shows an inverse correlation with accelerated times.

The paper shows that peptidoglycan turnover in Bacillus subtilis enables active transport of proteins through the cell wall, revealing a bacterial mechanism for molecular movement.

The paper improves collective variables for biased sampling by iteratively refining them using enhanced sampling data and a probabilistic clustering model.

This study uses molecular dynamics simulations to assess vinculin-actin unbinding kinetics, revealing catch bonding behavior under force and showing how directional forces influence bond states.

The paper measures cell-envelope stiffness in E. coli mutants to identify key factors influencing outer membrane mechanics and reveals sign epistasis between core oligosaccharide and OmpA.

This paper introduces frame-weighted shapeGMM to quantify unbiased biomolecular conformational ensembles from biased simulations, showing improved accuracy in thermodynamic property calculations and structural transitions.

The paper studies how the cytoplasm's crowded and active environment influences biomolecular condensate formation using a synthetic system and simulations.