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In this paper, we illustrate the development of a Virtual Laboratory environment by leveraging existing Grid technologies to enable molecular modelling for drug design on geographically distributed resources. It involves screening millions of compounds in the chemical database (CDB) against a protein target to identify those with potential use for drug design. We have used the Nimrod\u2010G parameter specification language to transform the existing molecular docking application into a parameter sweep application for executing on distributed systems. We have developed new tools for enabling access to ligand records\/molecules in the CDB from remote resources. The Nimrod\u2010G resource broker along with molecule CDB data broker is used for scheduling and on\u2010demand processing of docking jobs on the World\u2010Wide Grid (WWG) resources. The results demonstrate the ease of use and power of the Nimrod\u2010G and virtual laboratory tools for grid computing. Copyright \u00a9 2003 John Wiley & Sons, Ltd.<\/jats:p>","DOI":"10.1002\/cpe.704","type":"journal-article","created":{"date-parts":[[2003,1,9]],"date-time":"2003-01-09T21:01:01Z","timestamp":1042146061000},"page":"1-25","source":"Crossref","is-referenced-by-count":66,"title":["The Virtual Laboratory: a toolset to enable distributed molecular modelling for drug design on the World\u2010Wide Grid"],"prefix":"10.1002","volume":"15","author":[{"given":"Rajkumar","family":"Buyya","sequence":"first","affiliation":[]},{"given":"Kim","family":"Branson","sequence":"additional","affiliation":[]},{"given":"Jon","family":"Giddy","sequence":"additional","affiliation":[]},{"given":"David","family":"Abramson","sequence":"additional","affiliation":[]}],"member":"311","published-online":{"date-parts":[[2003,1,6]]},"reference":[{"key":"e_1_2_1_2_2","volume-title":"The Grid: Blueprint for a New Computing Infrastructure","author":"Foster I","year":"1999"},{"key":"e_1_2_1_3_2","unstructured":"LunneyE. 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