Scripps (United States)

most citedGPU-Accelerated Drug Discovery with Docking on the Summit Supercomputer: Porting, Optimization, and Application to COVID-19 Research

55 citations

researchers with a paper here

Counting papers with at most 25 authors, so collaboration author lists do not stand in for the people here.

Andreas Koch1 · h 9
A. Scheinberg1 · h 11
A. Sedova1 · h 12
A. Tillack1 · h 16
Diogo Santos-Martins1 · h 17
D. Poole1 · h 7
Jeremy C. Smith1 · h 69
J. Larkin1 · h 17
Josh V. Vermaas1 · h 5
Leonardo Solis-Vasquez1 · h 10
M. Thavappiragasam1 · h 6
O. Hernandez1 · h 7

collaborating institutions

Scripps Institution of OceanographyUS2 papers
University of Tennessee at KnoxvilleUS2 papers
Arizona State UniversityUS1 paper
Australian National UniversityAU1 paper
Ben-Gurion University of the NegevIL1 paper
Boğaziçi UniversityTR1 paper
Brandenburg University of Technology Cottbus-SenftenbergDE1 paper
Brown UniversityUS1 paper
California Institute of TechnologyUS1 paper
California Polytechnic State UniversityUS1 paper
Carnegie Mellon UniversityUS1 paper
Case Western Reserve UniversityUS1 paper

Showing q-bio.BMShow all

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q-bio.BM2020★ 55 cited

GPU-Accelerated Drug Discovery with Docking on the Summit Supercomputer: Porting, Optimization, and Application to COVID-19 Research

Scott LeGrand, Aaron Scheinberg, Andreas F. Tillack +12

Protein-ligand docking is an in silico tool used to screen potential drug compounds for their ability to bind to a given protein receptor within a drug-discovery campaign. Experime…