High-Performance Computing

GPU-optimized approaches to molecular docking-based virtual screening in drug discovery: A comparative analysis
Finding a novel drug is a very long and complex procedure. Using computer simulations, it is possible to accelerate the preliminary …
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Unlocking performance portability on LUMI-G supercomputer: A virtual screening case study
High-Performance Computing is the target system for virtual screening applications, which aim to suggest which candidates to test in …
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