Hassane S. Mchaourab

This paper introduces a differentiable spin-center diffusion model to generate weighted protein ensembles from DEER spectroscopy data, enabling thermodynamic interpretation of conformational ensembles.

The paper identifies an enzymatic pathway for isoaspartate formation in bacterial ribosomal protein uS11, showing its conservation and structural importance.

This study uses zebrafish models to show oxidative stress induces cataracts by activating unfolded and mitochondrial unfolded protein responses, suggesting these as therapeutic targets.

The paper uses AlphaFold3 to predict ligand-dependent conformational changes in ABC transporters and shows these predictions correlate with experimental data and energetics.

The paper characterizes ChlH, a flavin-dependent halogenase that halogenates internal and terminal tryptophan residues in diverse peptides and proteins, showing broad substrate promiscuity.

The paper uses diaPASEF proteomics to analyze zebrafish lens regions, achieving higher peptide and protein identifications compared to standard DIA methods.

This study reveals how lipid competition modulates drug affinity in ABC exporters through structural and simulation analyses of BmrCD.

The paper identifies structural features in MAFA and MAFB transcription factors that influence their DNA-binding and Insulin enhancer activity through structural and functional analysis.

The paper modifies AlphaFold2 to incorporate distance distributions from DEER spectroscopy, improving conformational prediction with fewer experimental constraints.

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

The paper investigates the interaction between Nrf2 and αB-crystallin in zebrafish lens and heart under proteostatic stress, revealing transcriptional changes and phenotypic consequences.

This paper demonstrates how modifying multiple sequence alignments with in silico mutagenesis enables Alphafold2 to predict alternate protein conformations, expanding its utility for drug design and structural studies.

This study investigates the effects of a DAT mutation linked to DTDS, showing impaired dopamine function and behavioral deficits in Drosophila, with potential therapeutic implications.

This study uses transgenic zebrafish to compare molecular effects of cataract-linked αA-crystallin mutants, revealing differences in their impact on lens proteostasis.