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Volumn 22, Issue , 2012, Pages 413-420

Accelerating grid kernels for virtual screening on graphics processing units

Author keywords

CUDA; Drug Discovery; GPUs; Grid; Interpolation; Virtual Screening

Indexed keywords


EID: 84875061952     PISSN: 09275452     EISSN: None     Source Type: Book Series    
DOI: 10.3233/978-1-61499-041-3-413     Document Type: Conference Paper
Times cited : (7)

References (13)
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    • 73349131117 scopus 로고    scopus 로고
    • Staggered mesh ewald: An extension of the smooth particle-mesh ewald method adding great versatility
    • David S. Cerutti, Robert E. Duke, Thomas A Darden, and Terry P. Lybrand. Staggered Mesh Ewald: An Extension of the Smooth Particle-Mesh Ewald Method Adding Great Versatility. Journal Of Chemical Theory And Computation, 5(9):2322-2338, 2009.
    • (2009) Journal of Chemical Theory and Computation , vol.5 , Issue.9 , pp. 2322-2338
    • Cerutti, D.S.1    Duke, R.E.2    Darden, T.A.3    Lybrand, T.P.4
  • 3
    • 55749101745 scopus 로고    scopus 로고
    • The impact of accelerator processors for high-throughput molecular modeling and simulation
    • G. Giupponi, M. J. Harvey, and G De Fabritiis. The impact of accelerator processors for high-throughput molecular modeling and simulation. Drug Discovery Today, 13:1052-1058, 2008.
    • (2008) Drug Discovery Today , vol.13 , pp. 1052-1058
    • Giupponi, G.1    Harvey, M.J.2    De Fabritiis, G.3
  • 5
    • 13844312649 scopus 로고    scopus 로고
    • ZINC - A free database of commercially available compounds for virtual screening
    • John J Irwin and Brian K Shoichet. ZINC-a free database of commercially available compounds for virtual screening. Journal of Chemical Information and Modeling, 45(1):177-182, 2005.
    • (2005) Journal of Chemical Information and Modeling , vol.45 , Issue.1 , pp. 177-182
    • Irwin, J.J.1    Shoichet, B.K.2
  • 6
    • 1642357706 scopus 로고    scopus 로고
    • The many roles of computation in drug discovery
    • WL Jorgensen. The many roles of computation in drug discovery. Science, 303(5665):1813-1818, 2004.
    • (2004) Science , vol.303 , Issue.5665 , pp. 1813-1818
    • Jorgensen, W.L.1
  • 8
    • 53549100784 scopus 로고    scopus 로고
    • Flexible side chain models improve enrichment rates in in silico screening
    • oct
    • Daria B Kokh and Wolfgang Wenzel. Flexible side chain models improve enrichment rates in in silico screening. Journal of Medicinal Chemistry, 51(19):5919-5931, oct 2008.
    • (2008) Journal of Medicinal Chemistry , vol.51 , Issue.19 , pp. 5919-5931
    • Kokh, D.B.1    Wenzel, W.2
  • 11
    • 78951469831 scopus 로고    scopus 로고
    • Optimization methods for virtual screening on novel computational architectures
    • Horacio Pérez-Sánchez and Wolfgang Wenzel. Optimization methods for virtual screening on novel computational architectures. Current Computer-Aided Drug Design, 7(1):44-52, 2011.
    • (2011) Current Computer-Aided Drug Design , vol.7 , Issue.1 , pp. 44-52
    • Pérez-Sánchez, H.1    Wenzel, W.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.