Jonathan W. Essex

The paper designs and characterizes triazole-based peptidomimetics of the -GI conotoxin, showing they retain potency and provide structural insights into their interaction with the muscle-type nAChR.

Carbonara uses SAXS data to predict alternative protein conformations, enabling more accurate MD simulations of solution-state dynamics.

The paper determines the molecular basis of -conotoxin specificity for muscle-type nAChRs using cryo-EM structures and computational methods.

This study determines the crystal structures of human and macaque CD1d bound to -GalCer, revealing conserved ligand-responsive conformational flexibility at Phe84 that modulates antigen presentation.

The paper presents atomistic models of lysophospholipids from Campylobacter jejuni and evaluates their phase behavior and membrane properties using molecular dynamics simulations.

The paper investigates tapasin-independent peptide editing by MHC-I molecules using molecular dynamics simulations, revealing an 'active displacement' mechanism that explains peptide selection and immunogenic epitope presentation.