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Accelerating virtual high-throughput ligand docking: current technology and case study on a petascale supercomputer.

S. Ellingson, D. Sivanesan, M. Brown, J. Smith, и J. Baudry. Concurr. Comput. Pract. Exp., 26 (6): 1268-1277 (2014)

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Sally Barmé

Sally Barmé

Sally Smith

Sally Feibelmann

Sally London

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Gene-disease-drug link prediction using tripartite graphs.C. Chen, S. Grady, S. Ellingson, и M. Langston. BCB, стр. 76:1. ACM, (2021)Proceedings of the 15th Annual UT-KBRIN Bioinformatics Summit 2016: Cadiz, KY, USA. 8-10 April 2016.E. Rouchka, J. Chariker, B. Harrison, J. Park, X. Cao, S. Pounds, S. Raimondi, J. Downing, R. Ribeiro, J. Rubnitz и 70 other автор(ы). BMC Bioinform., (августа 2016)VinaMPI: Facilitating multiple receptor high-throughput virtual docking on high-performance computers.S. Ellingson, J. Smith, и J. Baudry. J. Comput. Chem., 34 (25): 2212-2221 (2013)Computationally characterizing genomic pipelines using high-confident call sets.X. Zhang, и S. Ellingson. ICCS, том 80 из Procedia Computer Science, стр. 1023-1032. Elsevier, (2016)Quantifying Overfitting Potential in Drug Binding Datasets.B. Davis, K. McLoughlin, J. Allen, и S. Ellingson. ICCS (3), том 12139 из Lecture Notes in Computer Science, стр. 585-598. Springer, (2020)Accelerating virtual high-throughput ligand docking: current technology and case study on a petascale supercomputer.S. Ellingson, D. Sivanesan, M. Brown, J. Smith, и J. Baudry. Concurr. Comput. Pract. Exp., 26 (6): 1268-1277 (2014)Serendipitous discoveries in microarray analysis.S. Ellingson, C. Phillips, R. Glenn, D. Swanson, T. Ha, D. Goldowitz, и M. Langston. BMC Bioinform., 11 (S-4): P24 (2010)Towards a better understanding of on and off target effects of the lymphocyte-specific kinase LCK for the development of novel and safer pharmaceuticals.X. Zhang, A. Kucharski, W. de Jong, и S. Ellingson. ICCS, том 108 из Procedia Computer Science, стр. 1222-1231. Elsevier, (2017)

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