메뉴 건너뛰기




Volumn 147, Issue , 2009, Pages 212-221

A robust framework for rapid deployment of a virtual screening laboratory

Author keywords

Grid computing; Meta scheduling service; SLAs; UNICORE 6; Virtual high throughput screening vHTS; VS framework; Workflows

Indexed keywords

DRUG PRODUCTS; SCHEDULING; THROUGHPUT;

EID: 70349579960     PISSN: 09269630     EISSN: 18798365     Source Type: Book Series    
DOI: 10.3233/978-1-60750-027-8-212     Document Type: Conference Paper
Times cited : (3)

References (27)
  • 1
    • 1642357706 scopus 로고    scopus 로고
    • Jorgensen W. L.The Many Roles of Computation in Drug Discovery.Science. 2004, 303:5665.1813-1818.
    • Jorgensen W. L.The Many Roles of Computation in Drug Discovery.Science. 2004, 303:5665.1813-1818.
  • 4
    • 84860669385 scopus 로고    scopus 로고
    • Initiative for Grid-enabled drug discovery against neglected and emerging diseases
    • WISDOM
    • WISDOM: "Initiative for Grid-enabled drug discovery against neglected and emerging diseases". (http://wisdom.healthGrid.org/).
  • 6
    • 0036331612 scopus 로고    scopus 로고
    • The UNICORE Grid Infrastructure
    • Romberg, M. The UNICORE Grid Infrastructure. Sci, Program, 2002, 10. 149-157.
    • (2002) Sci, Program , vol.10 , pp. 149-157
    • Romberg, M.1
  • 8
    • 84860670088 scopus 로고    scopus 로고
    • DEISA, Distributed European Infrastructure for Supercomputing Applications
    • DEISA - Distributed European Infrastructure for Supercomputing Applications. http://www.deisa.org.
  • 9
    • 84860687063 scopus 로고    scopus 로고
    • D-Grid
    • D-GRID. German Grid Initiative, D-Grid. http://www.d-grid.de.
    • Grid Initiative
  • 10
    • 77953130407 scopus 로고    scopus 로고
    • Rambadt, M., Breu, R., Clementi, L., Fieseler, T., Giesler, A., Gürich, W., Malfetti, P., Menday, R., Reetz, J., Streit, A. Experiences with Using UNICORE in Production Grid Infrastructures DEISA and D-Grid. Grid Computing - International Symposium on Grid Computing (ISGC 2007) / ed.: S. C. Lin, E. Yen.New York, Springer, 2008. - 978-0-387-78416-8. - S. 121 - 130.
    • Rambadt, M., Breu, R., Clementi, L., Fieseler, T., Giesler, A., Gürich, W., Malfetti, P., Menday, R., Reetz, J., Streit, A. Experiences with Using UNICORE in Production Grid Infrastructures DEISA and D-Grid. Grid Computing - International Symposium on Grid Computing (ISGC 2007) / ed.: S. C. Lin, E. Yen.New York, Springer, 2008. - 978-0-387-78416-8. - S. 121 - 130.
  • 13
    • 84892246420 scopus 로고    scopus 로고
    • An Intelligent Application Oriented Scheduling Middleware for a HPC Grid. Grid Computing: Achievements and Prospects
    • CoreGRID Integration Workshop, Heraklion, Crete, Grece, April, P, 2008
    • Rasheed, R., Gruber, R., Keller, V., Ziegler, W., Wäldrich, O., Wieder, P., Kuonen, P., Sawley, M., Maffioletti, S., Kunszt, P. IANOS: An Intelligent Application Oriented Scheduling Middleware for a HPC Grid. Grid Computing: Achievements and Prospects, CoreGRID Integration Workshop 2008, Heraklion, Crete, Grece, April 2008, Springer CoreGRID Series, 2008. P. 237-248.
    • (2008) Springer CoreGRID Series , pp. 237-248
    • Rasheed, R.1    Gruber, R.2    Keller, V.3    Ziegler, W.4    Wäldrich, O.5    Wieder, P.6    Kuonen, P.7    Sawley, M.8    Maffioletti, S.9    Kunszt10    IANOS, P.11
  • 16
    • 41549122347 scopus 로고    scopus 로고
    • Chemomentum - UNICORE 6 based infrastructure for complex applications in science and technology
    • Proceedings of 3rd UNICORE Summit 2007 in conjunction with EuroPar, Rennes,France, P
    • Schuller, B., Demuth, B., Mix,H., Rasch,K., Romberg, M., Sild, S., Maran,U., Bala P., del Grosso, E., Casalegno, M., Piclin, N., Pintore, M., Sudholt, W., Baldrige, K. Chemomentum - UNICORE 6 based infrastructure for complex applications in science and technology, Proceedings of 3rd UNICORE Summit 2007 in conjunction with EuroPar 2007, Rennes,France, LNCS 4854, P. 82-93.
    • (2007) LNCS , vol.4854 , pp. 82-93
    • Schuller, B.1    Demuth, B.2    Mix, H.3    Rasch, K.4    Romberg, M.5    Sild, S.6    Maran, U.7    Bala, P.8    del Grosso, E.9    Casalegno, M.10    Piclin, N.11    Pintore, M.12    Sudholt, W.13    Baldrige, K.14
  • 18
    • 84860693832 scopus 로고    scopus 로고
    • FlexX. (http://www.biosolveit.de/FlexX/).
    • FlexX
  • 19
    • 11644261806 scopus 로고    scopus 로고
    • Automated docking using a Lamarckian Genetic Algorithm and an Empirical Binding Free Energy Function
    • P
    • Morris, G. M., Goodsell, D. S., Halliday, R. S., Huey, R., Hart,W. E., Belew, R. K., and Olson, A. J. Automated docking using a Lamarckian Genetic Algorithm and an Empirical Binding Free Energy Function. J. Comput. Chem. 1998, 19: P. 1639-1662.
    • (1998) J. Comput. Chem , vol.19 , pp. 1639-1662
    • Morris, G.M.1    Goodsell, D.S.2    Halliday, R.S.3    Huey, R.4    Hart, W.E.5    Belew, R.K.6    Olson, A.J.7
  • 20
    • 34548480189 scopus 로고    scopus 로고
    • Freundlich, J.S., Wang, F., Tsai, H.-C., Kuo, M., Shieh, H.-M., Anderson, J.W., Nkrumah, L.J., Valderramos, J.-C., Yu, M., Kumar, T.R.S., Valderramos, S.G., Jacobs, W.R., Schiehser, G.A., Jacobus, D.P., Fidock, D.A., Sacchettini, J.C. X-ray structural analysis of Plasmodium falciparum enoyl acyl carrier protein reductase as a pathway toward the optimization of triclosan antimalarial efficacy. J.Biol.Chem. v282,2007. P. 25436-44
    • Freundlich, J.S., Wang, F., Tsai, H.-C., Kuo, M., Shieh, H.-M., Anderson, J.W., Nkrumah, L.J., Valderramos, J.-C., Yu, M., Kumar, T.R.S., Valderramos, S.G., Jacobs, W.R., Schiehser, G.A., Jacobus, D.P., Fidock, D.A., Sacchettini, J.C. X-ray structural analysis of Plasmodium falciparum enoyl acyl carrier protein reductase as a pathway toward the optimization of triclosan antimalarial efficacy. J.Biol.Chem. v282,2007. P. 25436-44
  • 21
    • 0037066782 scopus 로고    scopus 로고
    • Perozzo, R., Kuo, M., Sidhu, A.S., Valiyaveettil, J.T., Bittman, R., Jacobs Jr., W.R., Fidock, D.A., Sacchettini, J.C. Structural elucidation of the specificity of the antibacterial agent triclosan for malarial enoyl acyl carrier protein reductase. J.Biol.Chem. v277, 2002. P. 13106-14
    • Perozzo, R., Kuo, M., Sidhu, A.S., Valiyaveettil, J.T., Bittman, R., Jacobs Jr., W.R., Fidock, D.A., Sacchettini, J.C. Structural elucidation of the specificity of the antibacterial agent triclosan for malarial enoyl acyl carrier protein reductase. J.Biol.Chem. v277, 2002. P. 13106-14
  • 23
    • 52249109585 scopus 로고    scopus 로고
    • Jiang, X., Kumar, K., Hu, X., Wallqvist, A., Reifman J. DOVIS 2.0: An efficient and easy to use parallel virtual screening tool based on AutoDock 4.0. Chemistry Central Journal 2008, 2:18.
    • Jiang, X., Kumar, K., Hu, X., Wallqvist, A., Reifman J. DOVIS 2.0: An efficient and easy to use parallel virtual screening tool based on AutoDock 4.0. Chemistry Central Journal 2008, 2:18.
  • 24
    • 71749106812 scopus 로고    scopus 로고
    • VIOLA (Vertically Integrated Optical Testbed for Large Applications in DFN), (2004-2006). (http://www.viola-testbed.de/).
    • VIOLA (Vertically Integrated Optical Testbed for Large Applications in DFN), (2004-2006). (http://www.viola-testbed.de/).
  • 25
    • 84860670087 scopus 로고    scopus 로고
    • BioSolveIT GmbH, DDB
    • BioSolveIT GmbH - DDB. (http://www.biosolveit.de/ddb).
  • 26
    • 3343004430 scopus 로고    scopus 로고
    • The FlexX database docking environment-rational extraction of receptor based pharmacophores
    • P
    • Claussen, H., Gastreich, M., Apelt, V., Greene, J., Hindle, S.A., Lemmen, C. The FlexX database docking environment-rational extraction of receptor based pharmacophores., Curr Drug Discov Technol 1(1) (2004). P. 49-60.
    • (2004) Curr Drug Discov Technol , vol.1 , Issue.1 , pp. 49-60
    • Claussen, H.1    Gastreich, M.2    Apelt, V.3    Greene, J.4    Hindle, S.A.5    Lemmen, C.6
  • 27
    • 71749096908 scopus 로고    scopus 로고
    • Wolf,A., Hofmann-Apitius, M., Ghanem, M., Azam, N., Kalaitzopoulos, D., Yu, K., Kasam, V. DockFlow - a prototypic PharmaGrid for Virtual Screening Integrating Four Different Docking Tools. Submitted to HealthGrid Conference, Berlin, 2009.
    • Wolf,A., Hofmann-Apitius, M., Ghanem, M., Azam, N., Kalaitzopoulos, D., Yu, K., Kasam, V. DockFlow - a prototypic PharmaGrid for Virtual Screening Integrating Four Different Docking Tools. Submitted to HealthGrid Conference, Berlin, 2009.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.