Jeff Larkin

Supercomputer-Based Ensemble Docking Drug Discovery Pipeline with Application to Covid-19

Atanu Acharya, Rupesh Agarwal, Matthew Baker et al. · Journal of Chemical Information and Modeling · 2020 · 185 citations · Full text

Artificial Intelligence, Drug Target, Engineering +19

Physics-based seismic hazard analysis on petascale heterogeneous supercomputers

Y. Cui, Efecan Poyraz, K. B. Olsen et al. · 2013 · 72 citations

Cluster Computing, Engineering, Computer Architecture +25

Cray XT4

Sadaf R. Alam, Jeffery A Kuehn, Richard Frederick Barrett et al. · 2007 · 62 citations

Engineering, Supercomputer Architecture, High-performance Architecture +13

GPU-Accelerated Drug Discovery with Docking on the Summit Supercomputer

Scott LeGrand, Aaron Scheinberg, Andreas F. Tillack et al. · 2020 · 51 citations · Full text

Engineering, Hit Identification, Molecular Biology +17

High-throughput virtual laboratory for drug discovery using massive datasets

Jens Gläser, Josh V. Vermaas, David Rogers et al. · The International Journal of High Performance Computing Applications · 2021 · 47 citations · Full text

Engineering, Hit Identification, Molecular Biology +22