{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2024,9,5]],"date-time":"2024-09-05T06:05:34Z","timestamp":1725516334457},"publisher-location":"Berlin, Heidelberg","reference-count":37,"publisher":"Springer Berlin Heidelberg","isbn-type":[{"type":"print","value":"9783540698388"},{"type":"electronic","value":"9783540698395"}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":[],"DOI":"10.1007\/978-3-540-69839-5_79","type":"book-chapter","created":{"date-parts":[[2008,8,12]],"date-time":"2008-08-12T16:07:43Z","timestamp":1218557263000},"page":"1036-1051","source":"Crossref","is-referenced-by-count":1,"title":["Grid Services for Parallel Molecular Dynamics with NAMD and CHARMM"],"prefix":"10.1007","author":[{"given":"Siegfried","family":"Benkner","sequence":"first","affiliation":[]},{"given":"Christian","family":"Schr\u00f6der","sequence":"additional","affiliation":[]},{"given":"Maria","family":"Lucka","sequence":"additional","affiliation":[]},{"given":"Othmar","family":"Steinhauser","sequence":"additional","affiliation":[]}],"member":"297","reference":[{"issue":"2","key":"79_CR1","doi-asserted-by":"publisher","first-page":"136","DOI":"10.1109\/TNB.2007.897438","volume":"6","author":"A. Arbona","year":"2007","unstructured":"Arbona, A., Benkner, S., Engelbrecht, G., Fingberg, J., Hofmann, M., Kumpf, K., Lonsdale, G., Woehrer, A.: A Service-oriented Grid Infrastructure for Biomedical Data and Compute Services. IEEE Transactions on NanoBioscience\u00a06(2), 136\u2013141 (2007)","journal-title":"IEEE Transactions on NanoBioscience"},{"key":"79_CR2","unstructured":"The @neurIST Project. Integrated Biomedical Informatics for the Management of Cerebral Aneurysms. EU Integrated Project, IST-2004-027703, http:\/\/www.aneurist.org\/"},{"key":"79_CR3","doi-asserted-by":"crossref","unstructured":"Baldridge, K.K., Greenberg, J.P., Stearn, B., Mock, S., Sudholt, W., Krishnan, S., Bowne, A., Amoreira, C., Potier, Y.: GEMSTONE: Grid-Enabled Molecular Science through Online Networked Environments. In: Life Sciences Grid Workshop, Grid Asia (May 2005)","DOI":"10.1142\/9789812772503_0014"},{"key":"79_CR4","doi-asserted-by":"crossref","unstructured":"Benkner, S., Brandic, I., Engelbrecht, G., Schmidt, R.: VGE - A Service-oriented Grid Environment for On-demand Supercomputing. In: Proceedings of the Fifth IEEE\/ACM International Workshop on Grid Computing (Grid 2004), Pittsburgh, PA, USA (November 2004)","DOI":"10.1109\/GRID.2004.65"},{"key":"79_CR5","doi-asserted-by":"crossref","unstructured":"Benkner, S., Berti, G., Engelbrecht, G., Fingberg, J., Kohring, G., Middleton, S.E., Schmidt, R.: GEMSS: Grid Infrastructure for Medical Service Provision. Journal of Methods of Information in Medicine\u00a044 (2005)","DOI":"10.1055\/s-0038-1633941"},{"key":"79_CR6","volume-title":"Proceedings of the International Conference on Internet and Web Applications and Services","author":"S. Benkner","year":"2006","unstructured":"Benkner, S., Engelbrecht, G.: A Generic QoS Infrastructure for Grid Web Services. In: Proceedings of the International Conference on Internet and Web Applications and Services. IEEE Computer Society Press, Los Alamitos (2006)"},{"key":"79_CR7","unstructured":"The BioinfoGRID Project, 2006-2007, http:\/\/www.bioinfogrid.eu\/the-project"},{"key":"79_CR8","unstructured":"Biomedical Informatics Research Network, http:\/\/www.nbirn.net"},{"key":"79_CR9","doi-asserted-by":"crossref","unstructured":"Brooks, B.R., Bruccoleri, R.E., Olafson, D.J., States, D.J., Swaminathan, D., Karplus, M.: CHARMM: A Program for Macromolecular Energy Minimization and Dynamics Calculations. Journal of Computational Chemistry, 187\u2013217 (1983), http:\/\/www.charmm.org\/","DOI":"10.1002\/jcc.540040211"},{"key":"79_CR10","unstructured":"Wroe, C., Goble, C., Stevens, R.: The MyGrid Project: Services, Architecture and Demonstrator. UK All Hands Meeting (2003)"},{"key":"79_CR11","doi-asserted-by":"publisher","first-page":"1668","DOI":"10.1002\/jcc.20290","volume":"26","author":"D.A. Case","year":"2005","unstructured":"Case, D.A., Cheatham III, T.E., Darden, T., Gohlke, H., Luo, R., Merz Jr., M., Onufriev, A., Simmerling, C., Wang, B., Woods, R.: The AMBER Biomolecular Simulation Programs. J. Computat. Chem.\u00a026, 1668\u20131688 (2005), http:\/\/amber.scripps.edu\/","journal-title":"J. Computat. Chem."},{"key":"79_CR12","doi-asserted-by":"publisher","first-page":"10089","DOI":"10.1063\/1.464397","volume":"98","author":"T. Darden","year":"1993","unstructured":"Darden, T., York, D., Pedersen, L.: Particle Mesh Ewald: An n\u00b7log(n) Method for Ewald Sums in Large Systems. J. Chem. Phys.\u00a098, 10089\u201310092 (1993)","journal-title":"J. Chem. Phys."},{"key":"79_CR13","series-title":"Lecture Notes in Computer Science","doi-asserted-by":"crossref","first-page":"69","DOI":"10.1007\/978-3-540-28642-4_8","volume-title":"Grid Computing","author":"F. Darvas","year":"2004","unstructured":"Darvas, F., Papp, \u00c1., B\u00e1gyi, I., Ambrus-Aikelin, G., Urge, L.: OpenMolGRID, a GRID Based System for Solving Large-Scale Drug Design Problems. In: Dikaiakos, M.D. (ed.) AxGrids 2004. LNCS, vol.\u00a03165, pp. 69\u201376. Springer, Heidelberg (2004)"},{"key":"79_CR14","series-title":"Lecture Notes in Computer Science","doi-asserted-by":"publisher","first-page":"825","DOI":"10.1007\/3-540-44681-8_116","volume-title":"Euro-Par 2001 Parallel Processing","author":"D.W. Erwin","year":"2001","unstructured":"Erwin, D.W., Snelling, D.F.: UNICORE: A Grid Computing Environment. In: Sakellariou, R., Keane, J.A., Gurd, J.R., Freeman, L. (eds.) Euro-Par 2001. LNCS, vol.\u00a02150, pp. 825\u2013834. Springer, Heidelberg (2001)"},{"key":"79_CR15","doi-asserted-by":"publisher","first-page":"8577","DOI":"10.1063\/1.470117","volume":"103","author":"U. Essmann","year":"1995","unstructured":"Essmann, U., Perera, L., Berkowitz, M.L., Darden, T., Lee, H., Pedersen, L.G.: A Smooth Particle Mesh Ewald Method. J. Chem. Phys.\u00a0103, 8577\u20138593 (1995)","journal-title":"J. Chem. Phys."},{"key":"79_CR16","unstructured":"Laure, E., et al.: Programming the Grid with gLite, 2006, CERN, EGEE-TR-2006-001"},{"key":"79_CR17","unstructured":"Foster, I., et al.: The Open Grid Services Architecture, Version 1.5 (July 2006)"},{"key":"79_CR18","unstructured":"http:\/\/www.globus.org"},{"key":"79_CR19","unstructured":"Gower, M., Cohen, J., Phillips, J., Kufrin, R., Schulten, K.: Managing Biomolecular Simulations in a Grid Environment with NAMD-G. In: Proceedings of the 2006 TeraGrid Conference (2006), http:\/\/www.ks.uiuc.edu\/Publications\/Papers\/PDF\/GOWE2006\/GOWE2006.pdf"},{"key":"79_CR20","unstructured":"http:\/\/www.isgtw.org\/?pid=1000740"},{"key":"79_CR21","unstructured":"http:\/\/www.opensciencegrid.org\/Science_on_the_OSG\/Research_Highlights\/CHARMM"},{"key":"79_CR22","doi-asserted-by":"crossref","unstructured":"Krishnan, S., Stearn, B., Bhatia, K., Baldridge, K.K., Li, W., Arzberger, P.: Opal: Simple Web Services Wrappers for Scientific Applications. In: IEEE International Conference on Web Services, ICWS 2006 (September 2006)","DOI":"10.1109\/ICWS.2006.96"},{"key":"79_CR23","doi-asserted-by":"crossref","unstructured":"Merelli, I., Morra, G., Milanesi, L.: Evaluation of a Grid Based Molecular Dynamics Approach for Polypeptide Simulations. IEEE Transactions on NanoBioscience\u00a06(3) (2007)","DOI":"10.1109\/TNB.2007.903483"},{"key":"79_CR24","doi-asserted-by":"crossref","unstructured":"Natrajan, A., Crowley, M., Wilkins-Diehr, N., Humphrey, M.A., Fox, A.D., Grimshaw, A.S., Brooks III, C.L.: vol.\u00a016(4). John Wiley and Sons Ltd., Chichester (2004)","DOI":"10.1002\/cpe.763"},{"key":"79_CR25","unstructured":"Nilsson, P.: Experience from a Pilot Based System for ATLAS: Computing in High Energy and Nuclear Physics (CHEP 2007) (September 2007), https:\/\/twiki.cern.ch\/twiki\/bin\/view\/Atlas\/Panda"},{"key":"79_CR26","unstructured":"Open Grid Services Architecture Aata Access and Integration (OGSA-DAI), http:\/\/www.ogsadai.org"},{"key":"79_CR27","unstructured":"Open Middleware Infrastructure Institute, http:\/\/www.omii.ac.uk\/"},{"key":"79_CR28","unstructured":"http:\/\/www.gridstart.org\/factsheets\/OpenMolGRID_factsheet.pdf"},{"key":"79_CR29","doi-asserted-by":"publisher","first-page":"1781","DOI":"10.1002\/jcc.20289","volume":"26","author":"J.C. Phillips","year":"2005","unstructured":"Phillips, J.C., Braun, R., Wang, W., Gumbart, J., Tajkhorshid, E., Villa, E., Chipot, C., Skeel, R.D., Kale, L., Schulten, K.: Scalable Molecular Dynamics with NAMD. J. Comput. Chem.\u00a026, 1781\u20131802 (2005)","journal-title":"J. Comput. Chem."},{"key":"79_CR30","doi-asserted-by":"publisher","first-page":"234503","DOI":"10.1063\/1.2805074","volume":"127","author":"C. Schr\u00f6der","year":"2007","unstructured":"Schr\u00f6der, C., Rudas, T., Neumayr, G., Benkner, S., Steinhauser, O.: On the Collective Network of Ionic Liquid\/Water Mixtures: I. Orientational Structure. J. Chem. Phys.\u00a0127, 234503 (2007)","journal-title":"J. Chem. Phys."},{"key":"79_CR31","doi-asserted-by":"publisher","first-page":"244506","DOI":"10.1063\/1.2404674","volume":"125","author":"C. Schr\u00f6der","year":"2006","unstructured":"Schr\u00f6der, C., Rudas, T., Steinhauser, O.: Simulation Studies of Ionic Liquids: Orientational Correlations and Static Dielectric Properties. J. Chem. Phys.\u00a0125, 244506 (2006)","journal-title":"J. Chem. Phys."},{"issue":"3","key":"79_CR32","doi-asserted-by":"publisher","first-page":"237","DOI":"10.1023\/A:1015617019423","volume":"5","author":"T. Tannenbaum","year":"2002","unstructured":"Tannenbaum, T., Livny, M., Foster, I.T., Tuecke, S.: Condor-G: A Computation Management Agent for Multi-Intstitutional Grids. Cluster Computing\u00a05(3), 237\u2013246 (2002)","journal-title":"Cluster Computing"},{"key":"79_CR33","unstructured":"The Vienna Grid Environment, http:\/\/www.par.univie.ac.at\/project\/vge"},{"key":"79_CR34","unstructured":"http:\/\/www.ks.uiuc.edu\/Research\/vmd\/"},{"key":"79_CR35","unstructured":"W\u00f6hrer, A., Brezany, P., Janciak, I.: Virtualization of Heterogeneous Data Sources for Grid Information Systems. In: MIPRO 2004, Opatija, Croatia, May 24-28 (2004)"},{"key":"79_CR36","unstructured":"Web Service Resource Framework (WSRF), http:\/\/www.globus.org\/wsrf\/"},{"key":"79_CR37","unstructured":"http:\/\/atb.csb.yale.edu\/xplor\/"}],"container-title":["Lecture Notes in Computer Science","Computational Science and Its Applications \u2013 ICCSA 2008"],"original-title":[],"language":"en","link":[{"URL":"http:\/\/link.springer.com\/content\/pdf\/10.1007\/978-3-540-69839-5_79.pdf","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,5,19]],"date-time":"2023-05-19T14:47:56Z","timestamp":1684507676000},"score":1,"resource":{"primary":{"URL":"http:\/\/link.springer.com\/10.1007\/978-3-540-69839-5_79"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[null]]},"ISBN":["9783540698388","9783540698395"],"references-count":37,"URL":"https:\/\/doi.org\/10.1007\/978-3-540-69839-5_79","relation":{},"ISSN":["0302-9743","1611-3349"],"issn-type":[{"type":"print","value":"0302-9743"},{"type":"electronic","value":"1611-3349"}],"subject":[]}}