Jul 6, 2022 · In this paper, we describe the EXSCALATE molecular docking platform capable to scale on an entire modern supercomputer for supporting extreme-scale virtual ...
In this paper, we describe the EXSCALATE molecular docking platform capable to scale on an entire modern supercomputer for supporting extreme-scale virtual ...
Mar 6, 2023 · The experiment lasted 60 hours and it performed more than one trillion ligand-pocket evalua- tions, setting a new record on the virtual ...
EXSCALATE: An Extreme-Scale Virtual Screening Platform for Drug Discovery Targeting Polypharmacology to Fight SARS-CoV-2 · Abstract · No full-text available.
The EXSCALATE molecular docking platform capable to scale on an entire modern supercomputer for supporting extreme-scale virtual screening campaigns and has ...
In this paper, we describe the EXSCALATE molecular docking platform capable to scale on an entire modern supercomputer for supporting extreme-scale virtual ...
The EXSCALATE platform has been designed to benefit from heterogeneous computation nodes and to reduce scaling issues. In particular, we maximized the ...
Oct 27, 2022 · ... Exscalate: An extreme-scale virtual screening platform for drug. discovery targeting polypharmacology to fight sars-cov-2,” IEEE. Transactions ...
EXSCALATE: an extreme-scale virtual screening platform for drug discovery targeting polypharmacology to fight SARS-CoV-2. D Gadioli, E Vitali, F Ficarelli, C ...
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Exscalate is the most advanced intelligent supercomputing platform for drug screening, and the largest enumerated chemical library in the world for preclinical ...