H. S. Mchaourab

Alternating Access of a Neurotransmitter:Sodium Symporter Bacterial Homolog Determined from AlphaFold2 Ensembles and DEER Spectroscopy

This paper uses AlphaFold2 and DEER spectroscopy to study the conformational dynamics of MhsT, revealing energy landscapes and environmental effects on transporter function.

Rosetta Energy Analysis of AlphaFold2 models: Point Mutations and Conformational Ensembles

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.

Cucurbituril Enhances Distance Measurements of Spin-Labeled Proteins

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

Modeling of protein conformational changes with Rosetta guided by limited experimental data

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

Structure and assembly of CAV1 8S complexes revealed by single particle electron microscopy

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.

Structural characterization of an intermediate reveals a unified mechanism for the CLC Cl-/H+ transport cycle

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.

Sequence and Structural Determinants of Ligand-dependent Alternating Access of a MATE Transporter

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

Protein fold prediction using simulated DEER distance distributions and decay traces

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

Engineering of a Polydisperse Small Heat-Shock Protein Reveals Conserved Motifs of Oligomer Plasticity

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