S. Rauscher

Functional Protein Dynamics in a Crystal

This paper develops methods to simulate protein dynamics in crystals and shows they accurately capture ligand-induced conformational changes.

LAWS: Local Alignment for Water Sites -- tracking ordered water in simulations

LAWS tracks crystallographic water sites in molecular dynamics simulations by aligning local protein contacts, preserving 76% of CWS and identifying more high-confidence sites than existing methods.

Fluorescent protein lifetimes report increased local densities and phases of nuclear condensates during embryonic stem cell differentiation

The paper uses fluorescent protein lifetimes to measure local densities in nuclear condensates during mouse embryonic stem cell differentiation, finding increased homogeneity in HP1 condensates post-differentiation.

Mesenchymal stem cells support human vascular endothelial cells to form vascular sprouts in human platelet lysate-based matrices.

This study shows mesenchymal stem cells help human endothelial cells form vascular sprouts in platelet lysate matrices, creating networks and aiding damaged cell regeneration under shear force.

The Liquid Structure of Elastin

This study uses molecular dynamics simulations to reveal the structural ensemble of aggregated elastin-like peptides, showing a maximally-disordered, melt-like state stabilized by hydrophobic effects and conformational entropy.