Falk Hoffmann from Lars Schaefer’s group at Ruhr University Bochum, will present his work on improving torsional barriers associated with methyl group rotations in amino acid side-chains in AMBER and CHARMM force fields by using NMR relaxation rates. This study is available as a preprint on ChemrXiv. Join this seminar via Zoom in real time on Sep 20 at 11 am (EDT), or watch it later on our YouTube channel.
Webinar by Falk Hoffmann: Using NMR relaxation data to improve the dynamics of methyl groups in AMBER and CHARMM force fields (Sep 20, 2019)
Falk Hoffmann will give a webinar on Sep 20 at 11 am (EDT) about his recent study on methyl group dynamics in amino acid side-chains using MD simulations and NMR relaxation rates