Research

"Bridging the gap between computational theory and experiment."

Small Molecule and Peptide Design

Keywords: CYANA, NOESY, Gaussian 09, DFT

QM/MM Calculations

Keywords: Cancer, QM/MM, Gaussian 09, AMBER

Molecular Dynamics Simulations

Keywords: protein, structure-function, trajectory, AMBER, CHARMM

Protein Dynamics

Keywords: Electron microscopy, NMR, Light scattering, Stop-flow