{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2024,6,1]],"date-time":"2024-06-01T00:08:45Z","timestamp":1717200525321},"reference-count":21,"publisher":"Springer Science and Business Media LLC","issue":"4","license":[{"start":{"date-parts":[[2010,5,13]],"date-time":"2010-05-13T00:00:00Z","timestamp":1273708800000},"content-version":"tdm","delay-in-days":0,"URL":"http:\/\/www.springer.com\/tdm"}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J Grid Computing"],"published-print":{"date-parts":[[2010,12]]},"DOI":"10.1007\/s10723-010-9159-7","type":"journal-article","created":{"date-parts":[[2010,5,12]],"date-time":"2010-05-12T08:12:56Z","timestamp":1273651976000},"page":"529-541","source":"Crossref","is-referenced-by-count":8,"title":["GVSS: A High Throughput Drug Discovery Service of Avian Flu and Dengue Fever for EGEE and EUAsiaGrid"],"prefix":"10.1007","volume":"8","author":[{"given":"Hsin-Yen","family":"Chen","sequence":"first","affiliation":[]},{"given":"Mason","family":"Hsiung","sequence":"additional","affiliation":[]},{"given":"Hurng-Chun","family":"Lee","sequence":"additional","affiliation":[]},{"given":"Eric","family":"Yen","sequence":"additional","affiliation":[]},{"given":"Simon C.","family":"Lin","sequence":"additional","affiliation":[]},{"given":"Ying-Ta","family":"Wu","sequence":"additional","affiliation":[]}],"member":"297","published-online":{"date-parts":[[2010,5,13]]},"reference":[{"issue":"5","key":"9159_CR1","doi-asserted-by":"crossref","first-page":"411","DOI":"10.1023\/A:1011115820450","volume":"15","author":"TJA Ewing","year":"2001","unstructured":"Ewing, T.J.A., Makino, S., Skillman, A.G., et al.: DOCK4.0: search strategies for automated molecular docking of flexible molecule database. J. Comput. Aided Mol. Des. 15(5), 411\u2013428. DOCK: UCSF DOCK. http:\/\/dock.compbio.ucsf.edu\/Overview_of_DOCK\/index.htm (2001)","journal-title":"J. Comput. Aided Mol. Des."},{"key":"9159_CR2","doi-asserted-by":"crossref","first-page":"266","DOI":"10.1002\/prot.340170305","volume":"17","author":"EC Meng","year":"1993","unstructured":"Meng, E.C., Gschwend, D.A., Blaney, J.M., Kuntz, I.D.: Orientational sampling and rigid-body minimization in molecular docking. Protein. Struct. Funct. Genet. 17, 266\u2013278 (1993)","journal-title":"Protein. Struct. Funct. Genet"},{"key":"9159_CR3","doi-asserted-by":"crossref","first-page":"1639","DOI":"10.1002\/(SICI)1096-987X(19981115)19:14<1639::AID-JCC10>3.0.CO;2-B","volume":"19","author":"GM Morris","year":"1998","unstructured":"Morris, G.M., Goodsell, D.S., Halliday, R.S., Huey, R., Hart, W.E., Belew, R.K., Olson, A.J.: Automated docking using a Lamarckian genetic algorithm and empirical binding free energy function. J. Comput. Chem. 19, 1639\u20131662 (1998)","journal-title":"J. Comput. Chem"},{"key":"9159_CR4","doi-asserted-by":"crossref","first-page":"1739","DOI":"10.1021\/jm0306430","volume":"47","author":"RA Friesner","year":"2004","unstructured":"Friesner, R.A., Banks, J.L., Murphy, R.B., Halgren, T.A., Klicic, J.J., Mainz, D.T., Repasky, M.P., Knoll, E.H., Shelley, M., Perry, J.K., Shaw, D.E., Francis, P., Shenkin, P.S.: Glide: a new approach for rapid, accurate docking and scoring. 1. Method and assessment of docking accuracy. J. Med. Chem. 47, 1739\u20131749 (2004)","journal-title":"J. Med. Chem"},{"key":"9159_CR5","doi-asserted-by":"crossref","first-page":"289","DOI":"10.1016\/S1093-3263(02)00164-X","volume":"21","author":"CM Venkatachalam","year":"2003","unstructured":"Venkatachalam, C.M., Jiang, X., Oldfield, T., Waldman, M.: LigandFit: a novel method for the shape-directed rapid docking of ligands to protein active sites. J. Mol. Graph. Model. 21, 289\u2013307 (2003)","journal-title":"J. Mol. Graph. Model"},{"key":"9159_CR6","unstructured":"Rarey, M., Wefing, S., Lengauer, T.: Time-efficient docking of flexible ligands into active sites of proteins. In: Rawlings, C., et al. (eds.) Proceedings of the Third International Conference on Intellegent Systems in Molecular Biology, pp. 300\u2013308. AAAI, Menlo Park (1995)"},{"issue":"Suppl.","key":"9159_CR7","doi-asserted-by":"crossref","first-page":"176","DOI":"10.1016\/S1359-6446(02)02369-3","volume":"7","author":"A Chien","year":"2002","unstructured":"Chien, A., Foster, I., Goddette, D.: Grid technologies empowering drug discovery. Drug Discov. Today 7(Suppl.) 176\u2013180 (2002)","journal-title":"Drug Discov. Today"},{"key":"9159_CR8","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1002\/cpe.704","volume":"15","author":"R Buyya","year":"2003","unstructured":"Buyya, R., Branson, K., Giddy, J., Abramson, D.: The virtual laboratory: a toolset to enable distributed molecular modeling for drug design on the world-wide Grid. Concurr. Comput. Pract. Exper. 15, 1\u201325 (2003)","journal-title":"Concurr. Comput. Pract. Exper"},{"key":"9159_CR9","doi-asserted-by":"crossref","first-page":"288","DOI":"10.1109\/TNB.2006.887943","volume":"5","author":"H-C Lee","year":"2006","unstructured":"Lee, H.-C., Salzemann, J., Jacq, N., Chen, H.Y., Ho, L.Y., Merelli, I., Milanesi, L., Breton, V., Lin, S.C., Wu, Y.T.: Grid-enabled high-throughput in silico screening against influenza A neuraminidase. IEEE Transactions on Nanobioscience 5, 288\u2013295 (2006)","journal-title":"IEEE Transactions on Nanobioscience"},{"key":"9159_CR10","doi-asserted-by":"crossref","first-page":"289","DOI":"10.1016\/j.parco.2007.02.010","volume":"33","author":"N Jacq","year":"2007","unstructured":"Jacq, N., Breton, V., Chen, H.Y., Ho, L.Y., Hofmann, M., Kasam, V., Lee, H.C., Legr\u00e9, Y., Lin, S.C., Maa\u00df, A., Medernach, E., Merelli, I., Milanesi, L., Rastelli, G., Reichstadt, M., Salzemann, J., Schwivhtenberg, H., Wu, Y.T., Zimmermann, M.: Virtual screening on large scale Grids. Parallel Comput. 33, 289\u2013301 (2007)","journal-title":"Parallel Comput"},{"key":"9159_CR11","doi-asserted-by":"crossref","first-page":"29","DOI":"10.1007\/s10723-007-9085-5","volume":"6","author":"N Jacq","year":"2008","unstructured":"Jacq, N., Salzemann, J., Jacq, F., Legr\u00e9, Y., Medernach, E., Montagnat, J., Maa\u00df, A., Reichstadt, M., Schwivhtenberg, H., Sridhar, M., Kasam, V., Zimmermann, M., Hofmann, M., Breton, V.: Grid-enabled virtual screening against malaria. J. Grid Computing 6, 29\u201343 (2008)","journal-title":"J. Grid Computing"},{"key":"9159_CR12","doi-asserted-by":"crossref","first-page":"73","DOI":"10.1016\/j.cmpb.2008.07.005","volume":"93","author":"MJ Levesque","year":"2009","unstructured":"Levesque, M.J., Ichikawa, K., Data, S., Haga, J.H.: Design of a Grid service-based platform for in silico protein-ligand screenings. Comput. Methods Programs Biomed. 93, 73\u201382 (2009)","journal-title":"Comput. Methods Programs Biomed"},{"key":"9159_CR13","doi-asserted-by":"crossref","first-page":"209","DOI":"10.1007\/s10723-006-9045-5","volume":"4","author":"PV Jithesh","year":"2006","unstructured":"Jithesh, P.V., Donachy, P., Harmer, T., Kelly, N., Perrott, R., Wasnik, S., Johnston, J., McCurley, M., Townsley, M., McKee, S.: GeneGrid: architecture, implementation and application. J. Grid Computing 4, 209\u2013222 (2006)","journal-title":"J. Grid Computing"},{"key":"9159_CR14","doi-asserted-by":"crossref","first-page":"463","DOI":"10.1007\/s10723-009-9130-7","volume":"7","author":"V Bertis","year":"2009","unstructured":"Bertis, V., Bolze, R., Desprez, F., Reed, K.: From dedicated Grid to volunteer Grid: large scale execution of a bioinformatics applications. J. Grid Computing 7, 463\u2013478 (2009)","journal-title":"J. Grid Computing"},{"key":"9159_CR15","doi-asserted-by":"crossref","unstructured":"Germain-Renaud1, C., Loomis, C., Mo\u015bcicki, J.T.: Scheduling for responsive grids. J. Grid Computing 6, 15\u201327 (2008)","DOI":"10.1007\/s10723-007-9086-4"},{"key":"9159_CR16","doi-asserted-by":"crossref","first-page":"426","DOI":"10.1016\/S0168-9002(03)00459-5","volume":"502","author":"JT Moscicki","year":"2003","unstructured":"Moscicki, J.T.: Distributed analysis environment for HEP and interdisciplinary applications. Nucl. Instrum. Methods Phys. Res. Sect. A Accel. Spectrom. Detect. Assoc. Equip. 502, 426\u2013429 (2003)","journal-title":"Nucl. Instrum. Methods Phys. Res. Sect. A Accel. Spectrom. Detect. Assoc. Equip"},{"key":"9159_CR17","doi-asserted-by":"crossref","first-page":"2303","DOI":"10.1016\/j.cpc.2009.06.016","volume":"180","author":"JT Moscicki","year":"2009","unstructured":"Moscicki, J.T., Brochu, F., Ebke, J., Egede, U., Elmsheuser, J., Harrison, K., Jones, R.W.L., Lee, H.-C., Liko, D., Maier, A., Muraru, A., Patrick, G.N., Pajchel, K., Reece, W., Samset, B.H., Slater, M.W., Soroko, A., Tan, C.L., van der Ster, D.C., Williams, M.: GANGA : a tool for computational-task management and easy access to Grid resources. Comput. Phys. Commun. 180, 2303\u20132316 (2009)","journal-title":"Comput. Phys. Commun"},{"key":"9159_CR18","doi-asserted-by":"crossref","first-page":"61","DOI":"10.1007\/s10723-007-9084-6","volume":"6","author":"B Koblitz","year":"2008","unstructured":"Koblitz, B., Santos, N., Pose, V.: The AMGA metadata service. J. Grid Computing 6, 61\u201376 (2008)","journal-title":"J. Grid Computing"},{"key":"9159_CR19","doi-asserted-by":"crossref","first-page":"209","DOI":"10.1038\/nature02746","volume":"430","author":"KS Li","year":"2004","unstructured":"Li, K.S., Guan, Y., Wang, J., Smith, G.J.D., Xu, K.M., Duan, L., Rahardjo, A.P., Puthavathana, P., Buranathai, C., Nguyen, T.D., Estoepangestie, A.T.S., Chaisingh, A., Auewarakul, P., Long, H.T., Hanh, N.T.H., Webby, R.J., Ponn, L.L.M., Chen, H., Shortridge, K.F., Yuen, K.Y., Webster, R.G., Peiris, J.S.M.: Genesis of a highly pathogenic and potentially pandemic H5N1 influenza virus in eastern Asia. Nature 430, 209\u2013213 (2004)","journal-title":"Nature"},{"key":"9159_CR20","doi-asserted-by":"crossref","first-page":"3","DOI":"10.1016\/S0169-409X(00)00129-0","volume":"46","author":"CA Lipinski","year":"2001","unstructured":"Lipinski, C.A., Lombardo, F., Dominy, B.W., Feeney, P.J.: Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings. Adv. Drug Deliv. Rev. 46, 3\u201326 (2001)","journal-title":"Adv. Drug Deliv. Rev"},{"key":"9159_CR21","first-page":"57","volume":"17","author":"MF Sanner","year":"1999","unstructured":"Sanner, M.F.: Python: a programming language for software integration and development. J. Mol. Graph. Mod. 17, 57\u201361 (1999)","journal-title":"J. Mol. Graph. Mod"}],"container-title":["Journal of Grid Computing"],"original-title":[],"language":"en","link":[{"URL":"http:\/\/link.springer.com\/content\/pdf\/10.1007\/s10723-010-9159-7.pdf","content-type":"application\/pdf","content-version":"vor","intended-application":"text-mining"},{"URL":"http:\/\/link.springer.com\/article\/10.1007\/s10723-010-9159-7\/fulltext.html","content-type":"text\/html","content-version":"vor","intended-application":"text-mining"},{"URL":"http:\/\/link.springer.com\/content\/pdf\/10.1007\/s10723-010-9159-7","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2019,5,30]],"date-time":"2019-05-30T22:47:15Z","timestamp":1559256435000},"score":1,"resource":{"primary":{"URL":"http:\/\/link.springer.com\/10.1007\/s10723-010-9159-7"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2010,5,13]]},"references-count":21,"journal-issue":{"issue":"4","published-print":{"date-parts":[[2010,12]]}},"alternative-id":["9159"],"URL":"https:\/\/doi.org\/10.1007\/s10723-010-9159-7","relation":{},"ISSN":["1570-7873","1572-9184"],"issn-type":[{"value":"1570-7873","type":"print"},{"value":"1572-9184","type":"electronic"}],"subject":[],"published":{"date-parts":[[2010,5,13]]}}}