G. Brannigan

This study shows propofol directly binds and inhibits RyR1, reducing Ca2+ release and potentially protecting against malignant hyperthermia.

The paper introduces SAFEP, a framework for computing free energy of binding using alchemical free energy perturbation in NAMD, with a practical example on phenol to lysozyme.

This study shows that different lipid nanodisc scaffolds and sizes alter the structure of the pentameric ligand-gated ion channel ELIC, with larger nanodiscs promoting more activated conformations.

The paper shows phosphatidylglycerol stabilizes the open state of ELIC by binding to a specific outer leaflet site, identified through structural and functional analyses.

This study identifies two fatty acid binding sites in ELIC and shows that DHA selectively inhibits the channel by binding to a specific site in the agonist-bound state.

The paper shows that phosphatidylglycerol binds to and stabilizes the pentameric ligand-gated ion channel ELIC, reducing desensitization.

This study calculates the affinity of general anesthetics for GABA(A) receptor intersubunit cavities using molecular dynamics and free energy perturbation, finding that water displacement predicts binding affinity.