Daniel W Kneller

Postdoctoral Research Associate

Daniel Kneller is a protein structural biologist and biochemist. His current primary research focus is to investigate the catalysis and drug resistance mechanisms for viral protease therapeutic targets. Structural changes when proteins interact with ligands are investigated using joint X-ray/neutron crystallography. One aim is to develop new techniques to study protein-ligand complex dynamics at picosecond timescales using neutron vibrational spectroscopy in combination with all-atom molecular dynamics simulations. These efforts aid structure-guided drug design for proteins including HIV-1 protease and the SARS-CoV-2 main protease, the etiological agents of AIDS and COVID-19 respectively.