James Andrew McCammon

This paper uses molecular dynamics simulations and Markovian State Models to analyze CK1 conformational dynamics, revealing how the tau mutant alters substrate selectivity and affects circadian period.

This study uses AlphaFold and simulations to show human SUCNR1 spontaneously adopts active conformations and exhibits constitutive signaling, while murine SUCNR1 requires agonist for activation.

This study identifies genome-level mutations in an evolved Escherichia coli strain adapted to high pressure, revealing potential genetic factors contributing to piezotolerance.

This study identifies six new cytochrome bd inhibitor scaffolds through computational screening and validates their activity against Mycobacterium tuberculosis.

The paper develops a pipeline using GAMer 2 to convert electron microscopy images into 3D meshes for reaction-diffusion simulations in realistic cellular geometries.