Welcome to the MGHPCC Virtual Booth

Northeastern University

Simulating Large Biomolecular Assemblies

Paul Whitford’s Group uses Northeastern’s Discovery cluster at the MGHPCC to conduct molecular dynamics simulations that elucidate the interactions driving large-scale biological processes. Current research interests include the dynamics of the SARS-CoV-2 spike protein, the ribosome, and the nuclear pore complex.

The Whitford Group is a theoretical biological physics research group focused on the energetic properties of biomolecular dynamics using theoretical modeling and high-performance computing (HPC). His work explores biomolecular transitions, energy transfer, protein and RNA folding, and large-scale conformational changes in molecular machines. Their current projects study the dynamics of large molecular assemblies like ribosomes, viral capsids, and the SARS-CoV-2 Spike protein.

The Group develops and applies various models to uncover the physical principles behind biomolecular dynamics and uses molecular simulations to interpret experimental data from techniques such as biochemical assays, small-angle X-ray scattering, and cryogenic electron microscopy. Their interdisciplinary approach involves collaboration with chemists, biologists, engineers, computational scientists, and medical researchers to bridge basic science and medical applications and frequently involves collaboration with experimentalists to compare theoretical models with cellular dynamics

Paul Whitford
Professor of Physics, Northeastern University College of Science

Principal Members

Yale
100 Bigelow Street, Holyoke, MA 01040