G. M. Hocky

Quantifying Unbiased Conformational Ensembles from Biased Simulations Using ShapeGMM

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.

Mesoscale molecular assembly is favored by the active, crowded cytoplasm

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

Actin crosslinker competition and sorting drive emergent GUV size-dependent actin network architecture

The paper shows that actin crosslinker competition and sorting in confined environments lead to distinct actin network architectures in GUVs.

Residue-Level Allostery Propagates Through the Effective Coarse-Grained Hessian

This study computes an effective coarse-grained Hessian from molecular dynamics simulations to better understand residue-level allostery in proteins and identifies key residues involved in direct and indirect allosteric pathways.

A burst of genetic innovation in actin-related proteins (Arps) for testis-specific function in a Drosophila lineage

The paper identifies four lineage-specific Arp gene duplications in Drosophila obscura group, showing positive selection and male germline expression, with Arp2D potentially enhancing Arp2 function in sperm development.

Mechanical and kinetic factors drive sorting of F-actin crosslinkers on bundles

The paper investigates how mechanical and kinetic factors influence the sorting of F-actin crosslinkers on bundles, showing a non-monotonic dependence on polymerization rate.

Insights into the cooperative nature of ATP hydrolysis in actin filaments

This paper develops a multiscale UCG model to study ATP hydrolysis and Pi release in actin filaments, showing cooperativity affects filament dynamics near critical monomer concentrations.