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COVID-19 Research at NERSC

NERSC is supporting COVID-19 related research by providing urgent access to its High Performance Computing and Data resources and staff expertise. All interested researchers can apply to use NERSC  through the COVID-19 High Performance Computing Consortium. This unique private-public effort brings together federal government, industry, and academic leaders to volunteer free computing time and resources on their world-class machines. Scientists are invited to submit COVID-19 related research proposals

NERSC has dedicated more than two million node hours from its Director's Discretionary Reserve of computer time on its Cori supercomputer to support of this effort. Personalized staff assistance and fast-turnaround queues are also available to COVID-19 researchers.

Computer-Aided Design of Peptide Ligands to SARS-CoV-2 Targets

Researchers from the Beckman Institute at the City of Hope are designing peptides and small molecules that will bind to the coronavirus surface proteins and inhibit their binding to human proteins. Besides potential therapy, these inhibitory peptides and molecules are useful for understanding the mechanisms of virus entry and interaction with the human host and the immune system. Read More »

Machine Learning to model the full space of chemical biology and drug discovery with quantum-mechanical accuracy

This project is using their new machine learning (ML) model to screen drug molecules for an affinity with protein targets associated with COVID-19 infection. The goal is to span the full space of chemical biology and drug discovery with quantum-mechanical accuracy at much reduced computational cost. Read More »

Viral Fate & Transport for COVID-19

Potentially infectious sites are created when COVID-19 carrying aerosol particles are released as a person talks/sings/coughs/sneezes/breathes and the virus is deposited on the ground and other surfaces. This team is studying how this process occurs in a model classroom setting. Read More »

Manipulation of Membrane Curvature by Designer Peptides for Battling COVID-19 Infection

Scientists from Boston University and UCLA are working closely to understand the factors (sequence and membrane composition) that dictate the activity of SARS-CoV-2 "inverse translocation peptides" and their effect on the structure of the human cell membranes . Read More »

Structure Refinement of the Spike Protein of SARS-COV-2

University of Missouri, Kansas City scientists are refining the structure of regions on the SARS-COV-2 to much higher accuracy using large scale ab initio simulations and investigating their atomic scale interactions and intra molecular binding mechanisms. Read More »

Drug-Repurposing for Covid-19 with 3D-Aware Machine Learning

Scientists from MIT and Harvard are exploring whether the repurposing of drugs for COVID-19 treatment can be accelerated with a combination of physical simulation and machine learning (ML). Read More »

Dependence of Structure and Dynamics of Novel SARS-CoV-2 on Temperature and Humidity in the Atmosphere

Researchers from National Institute of Technology Warangal are studying whether the virus undergoes any biophysical changes in response to changes in atmospheric conditions, mainly temperature and humidity. Read More »