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Web Content Settling In XSEDE Resources Correct Computer-Predicted Protein Simulations, Approaching Lab Accuracy successes nsf national science foundation bio molecular dynamics machine learning protein structure x-ray x-ray crystallography drug design rational drug design gpu graphics processing unit
Web Content Every Calculation Stabs Combination of XSEDE, other resources allows team to span time scales in simulating dagger-like microbe-killing molecule successes molecular dynamics covid-19 sars-cov-2 protein structure drug design rational drug design gpu graphics processing unit peptide structure antibiotic mrsa vancomycin-resistent enterococcus drug resistence drug resistent bacteria
Web Content 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 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

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Alberto Jimenez