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

Learn more
Paul Whitford
Professor of Physics, Northeastern University College of Science

PRINCIPAL MEMBERS

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Featured projects

A Future of Unmanned Aerial Vehicles
ACAS X: A Family of Next-Generation Collision Avoidance Systems
SC24 Project
Accelerating Rendering Power
MGHPCC Project
ACCESS Support (MATCH)
SC24 Project
Adaptive Deep Learning Systems Towards Edge Intelligence
SC24 Project
Analyzing the Gut Microbiome
MGHPCC Project
Ask.CI
SC24 Project
Avoiding Smash Hits
Research Computing Center
BU Research Computing Services
MGHPCC Project
Campus Champions
SC24 Project
Computational Modeling of Biological Systems
Computational Molecular Ecology
MGHPCC Project
ConnectCI
Cyber-Physical Communication Network Security
SC24 Project
Dancing Frog Genomes
SC24 Project
Deciphering Alzheimer's Disease
SC24 Project
Denser Environments Cultivate Larger Galaxies
SC24 Project
Detecting Protein Concentrations in Assays
SC24 Project
Developing Advanced Materials for a Sustainable Energy Future
SC24 Project
Dexterous Robotic Hands
SC24 Project
Discovering Evolution’s Master Switches
MGHPCC Project
Ecosystem for Research Networking (ERN)
SC24 Project
Electron Heating in Kinetic-Alfvén-Wave Turbulence
Energy Transport and Ultrafast Spectroscopy Lab
SC24 Project
Ephemeral Stream Water Contributions to US Drainage Networks
SC24 Project
Evaluating Health Benefits of Stricter US Air Quality Standards
SC24 Project
Evolution of Viral Infectious Disease
SC24 Project
Exact Gravitational Lensing by Rotating Black Holes
MGHPCC Project
Expanding Computing Education Pathways (ECEP) Alliance
SC24 Project
Fuzzing the Linux Kernel
Genome Forecasting
SC24 Project
Global Consequences of Warming-Induced Arctic River Changes
Harvard FASRC
MGHPCC Project
Holyoke Codes: Broadening Participation in Computer Science Education
SC24 Project
IceCube: Hunting Neutrinos
SC24 Project
Impact of Marine Heatwaves on Coral Diversity
SC24 Project
Investigating Mantle Flow Through Analyses of Earthquake Wave Propagation
MGHPCC Project
Knowledge Base
Lincoln Laboratory Supercomputing Center (LLSC)
SC24 Project
Measuring Neutrino Mass
MIT Brain and Cognitive Sciences
Research Computing Center
MIT Office of Research Computing and Data
SC24 Project
Modeling Breast Cancer Spread
SC24 Project
Modeling Hydrogels and Elastomers
SC24 Project
Monte Carlo eXtreme (MCX) - a Physically-Accurate Photon Simulator
SC24 Project
Network Attached FPGAs in the OCT
Research Computing Center
NEU Research Computing
NeuraChip
SC24 Project
Neurocognition at the Wu Tsai Institute, Yale
MGHPCC Project
New England Research Cloud
SC24 Project
New Insights on Binary Black Holes
MGHPCC Project
Northeast Storage Exchange
Open Cloud Testbed (OCT)
MGHPCC Project
OSN 1 - Accessing Storage
MGHPCC Project
OSN 2 - Deploying Storage
SC24 Project
Pulling Back the Quantum Curtain on ‘Weyl Fermions’
SC24 Project
Quantum Computing in Renewable Energy Development
SC24 Project
QuEra at the MGHPCC
Remote Sensing of Earth Systems
SC24 Project
Revolutionizing Materials Design with Computational Modeling
SEQer - Sequence Evaluation in Realtime
Simulating Large Biomolecular Assemblies
Social Capital and Economic Mobility
Software for Unreliable Quantum Computers
SC24 Project
Studying Highly Efficient Biological Solar Energy Systems
SC24 Project
Surface Behavior
SC24 Project
Taming the Energy Appetite of AI Models
SC24 Project
The Institute for Experiential AI
SC24 Project
The Kempner Institute - Unlocking Intelligence
MGHPCC Project
The Mass Open Cloud Alliance (MOC Alliance)
The Rhode Island Coastal Hazards Analysis, Modeling, and Prediction System
SC24 Project
The US ATLAS Northeast Tier 2 Center
SC24 Project
Tornado Path Detection
SC24 Project
Towards a Whole Brain Cellular Atlas
UMass - URI Unity Cluster
Research Computing Center
UMass Amherst Research Computing and Data
URI Center for Computational Research
SC24 Project
Volcanic Eruptions Impact on Stratospheric Chemistry & Ozone
SC24 Project
Yale Budget Lab
Research Computing Center
Yale Center for Research Computing
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