Brenda M. Rubenstein

This paper uses molecular dynamics simulations and circular dichroism experiments to show that lubricin's mucin domain has significant polyproline type II helical structure, stabilized by glycosylation.

This study investigates how histidine residues in GM-CSF affect its structure, flexibility, and ligand binding at physiological pH.

The paper evaluates predictive models for {Phi}X174 bacteriophage viability using biophysical and molecular modeling approaches, finding that large-effect mutations are highly informative for predicting phenotypes.

FastConformation provides a user-friendly tool for generating and analyzing protein conformational ensembles using AlphaFold 2, enabling faster and more accessible conformational predictions than traditional methods.

The paper characterizes LPOR isoform properties across six plant species, revealing differences in Chlide affinity, oligomerization, and conformational flexibility, with four mobile regions identified via AlphaFold2.

This study uses Weighted Ensemble simulations to analyze DFG flip mechanisms in Abl1 kinase and shows how compound mutations increase free energy barriers, leading to inhibitor resistance.

This paper uses AlphaFold2 to predict protein conformational populations and mutation effects without a physics engine, achieving over 80% accuracy on two proteins.

This study identifies six critical amino acids in NUP153 essential for HIV capsid interaction using computational and experimental methods.

The paper identifies two mutations in TEM beta-lactamase that shift drug specificity through salt bridges, validated by simulations and experiments.

LYRUS predicts the pathogenicity of missense variants using sequence, structure, and dynamics-based features, achieving higher accuracy than existing methods.

The paper demonstrates storing and retrieving digital image data in synthetic metabolomes with high accuracy.