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Accelerated Conformational Entropy Calculations Using Graphic Processing Units.

, , , , , , , and . Journal of Chemical Information and Modeling, 53 (8): 2057-2064 (2013)

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Parallel Computation of Non-Bonded Interactions in Drug Discovery: Nvidia GPUs vs. Intel Xeon Phi., , , , and . IWBBIO, page 579-588. Copicentro Editorial, (2014)A Pipeline Pilot based SOAP implementation of FlexScreen for High-Throughput Virtual Screening., , , , and . IWSG-Life, volume 819 of CEUR Workshop Proceedings, CEUR-WS.org, (2011)Improving drug discovery using a neural networks based parallel scoring function., , , , , , , and . IJCNN, page 1-5. IEEE, (2013)A methodology for evaluating multi-objective evolutionary feature selection for classification in the context of virtual screening., , , , and . Soft Comput., 23 (18): 8775-8800 (2019)Optimizations to enhance sustainability of MPI applications., , , , , , , , , and 1 other author(s). EuroMPI/ASIA, page 145. ACM, (2014)Parallel Ant Colony Optimization for the HP Protein Folding Problem., , , , and . IWBBIO, volume 9656 of Lecture Notes in Computer Science, page 615-626. Springer, (2016)The role of High Performance Computing in Bioinformatics., , and . IWBBIO, page 494-506. Copicentro Editorial, (2014)Toward energy efficiency in heterogeneous processors: findings on virtual screening methods., , , , , and . Concurrency and Computation: Practice and Experience, 26 (10): 1832-1846 (2014)High-Throughput parallel blind Virtual Screening using BINDSURF., , , and . BMC Bioinformatics, 13 (S-14): S13 (2012)Accelerated Conformational Entropy Calculations Using Graphic Processing Units., , , , , , , and . Journal of Chemical Information and Modeling, 53 (8): 2057-2064 (2013)