H. S. Mchaourab

This study evaluates AlphaFold2's ability to predict the effects of point mutations and conformational ensembles using Rosetta, showing robust results when mutations are applied across the MSA.

This paper demonstrates that cucurbituril enhances spin-label immobilization and improves DEER measurement sensitivity for studying protein distances.

This paper introduces ConfChangeMover (CCM), a Rosetta tool for modeling protein conformational changes using sparse experimental data, and shows it outperforms existing methods.

This study uses single particle electron microscopy to reveal the structure of human CAV1 8S complexes, showing they are toroidal with distinct rings and stalks, and provides insights into their assembly.

The paper presents a 2.6 Å structure of a CLC mutant, revealing a global conformational change that supports a unified transport mechanism for CLC proteins.

This study identifies sequence and structural determinants of ligand-dependent alternating access in PfMATE using DEER, mutagenesis, and functional assays.

This paper introduces RosettaDEER, a method that simulates DEER distance distributions and decay traces to improve protein fold prediction using sparse experimental data.

This study engineers a polydisperse small heat-shock protein to reveal conserved motifs of oligomer plasticity through structural and functional analysis.