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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

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