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Content with tag psc .

Getting to the Core of HIV Replication

HIV-1 viral capsid simulations on XSEDE-allocated Stampede2, Bridges, Darwin systems uncover nucleotide entry mechanism
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successes psc bridges tacc stampede2 nsf texas advanced computing center molecular dynamics dna pittsburgh supercomputing center hiv hiv-1 basic research virus capsid university of delaware juan r perilla viral replication 1116 Views 3/30/21

MuST Program Simplifies Predictions of Material Properties

XSEDE ECSS scientist a leader in development of open-source tool for engineering new substances
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ecss successes psc bridges materials science mps dmr must multiple scattering theory disordered materials locally self-consistent multiple scattering theory lsms density function theory dft korringa-kohn-rostoker coherent potential approximation kkr cpa kubo-greenwood formula electron flow 1528 Views 3/25/21

PSC's Bridges-2 and SDSC's Expanse Now Allocable by XSEDE

XSEDE Welcomes Two New Level 1 Service Providers
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successes psc nsf sdsc expanse bridges-2 4113 Views 3/3/21

MIT Researchers Use Machine Learning to Advance Computational Chemistry

National Science Foundation Supercomputing Resources Simulate Complex Models
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successes psc bridges comet nsf sdsc mps 5103 Views 2/9/21

Rapid ID of Potential Anti-COVID-19 Agents Powered by XSEDE

Bridges-AI identifies more than 20,000 compounds with possible anti-virus activity, thousands of times faster than earlier methods
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successes psc bridges bio mps che molecular dynamics sars-cov-2 gpu graphics processing unit bridges-ai nvidia neural network cnn quantum chemistry tesla v100 drug discovery nnp neural network potentials ani anakin-me 6322 Views 1/29/21

AI Uses Language Rules to Simulate Molecular Motions on XSEDE-Allocated Bridges

Recreates known chemical rules, opens door to improved vaccines, drugs, industrial processes
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successes psc bridges ai deep learning artificial intelligence bio molecular dynamics natural language processing recurrent neural network md simulation 5964 Views 1/22/21

XSEDE Welcomes New Service Providers

Five new resources recently approved to be allocated by XSEDE
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successes psc bridges sdsc purdue university anvil texas a and m university kyric uky faster rockfish johnsho osn expanse 6025 Views 1/7/21

NSF Funds Five New XSEDE-Allocated Systems

The National Science Foundation has announced grants for five new supercomputers, all of which will be partially allocated for XSEDE research
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successes psc ncsa tacc jetstream nsf sdsc indiana university purdue university ucar johns hopkins university university of arizona cornell university university of hawaii delta anvil neocortex voyager 8872 Views 8/6/20

Re-Engineering Antibodies to Find Relief for COVID-19

Catholic University of America researcher uses XSEDE resources to fast-track passive immunity
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successes psc bridges tacc stampede2 covid-19 virus sars pandemic frontera antibodies victor padilla-sanchez in silico passive immunity theraputics chimera software rosetta software immunity the catholic university of america 8080 Views 8/5/20

XSEDE Supercomputers Aid Drug Screening For Deadly Heart Arrhythmias

Computational pipeline tests for cardiotoxicity
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successes psc ncsa tacc stampede2 comet sdsc supercomputer nih american heart association frontera blue waters anton2 cardiotoxicity drug screening qt interval colleen clancy igor vorobyov uc davis school of medicine heart attack cardiac arrest herg 11998 Views 5/14/20
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