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An hybrid approach to accelerate a molecular docking application for virtual screening in heterogeneous nodes: POSTER.

, , , , , and . CF, page 298-299. ACM, (2019)

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Exploiting OpenMP & OpenACC to Accelerate a Molecular Docking Mini-App in Heterogeneous HPC Nodes., , , , , and . CoRR, (2019)ANTAREX - AutoTuning and Adaptivity appRoach for Energy Efficient eXascale HPC Systems., , , , , , , , , and 4 other author(s). CSE, page 343-346. IEEE Computer Society, (2015)LiGen: A High Performance Workflow for Chemistry Driven de Novo Design., , , and . Journal of Chemical Information and Modeling, 53 (6): 1518-1527 (2013)An hybrid approach to accelerate a molecular docking application for virtual screening in heterogeneous nodes: POSTER., , , , , and . CF, page 298-299. ACM, (2019)Exploiting OpenMP and OpenACC to accelerate a geometric approach to molecular docking in heterogeneous HPC nodes., , , , , and . The Journal of Supercomputing, 75 (7): 3374-3396 (2019)Use of Experimental Design To Optimize Docking Performance: The Case of LiGenDock, the Docking Module of Ligen, a New De Novo Design Program., , , , and . Journal of Chemical Information and Modeling, 53 (6): 1503-1517 (2013)Discovering HDAC class II selective inhibitors by multidisciplinary approach., , , , and . J. Cheminformatics, 3 (S-1): 2 (2011)Accelerating a Geometric Approach to Molecular Docking with OpenACC., , , , and . PBio@EuroMPI, page 45-51. ACM, (2018)ADPredict: ADP-ribosylation site prediction based on physicochemical and structural descriptors., , , , and . Bioinformatics, 34 (15): 2566-2574 (2018)Tunable Approximations to Control Time-to-Solution in an HPC Molecular Docking Mini-App., , , , , , , , , and . CoRR, (2019)