View Document Preview and Link Document Date: 2004-02-17 00:02:08 Open Document File Size: 476,88 KB Share Result on Facebook
Company Chapter 7 The Virtual Laboratory / The Virtual Laboratory / Compaq / Nimrod-G Grid / / Currency USD / / Facility Software Stack The Virtual Laboratory / University of California / / IndustryTerm active site / large chemical databases / performance computing / scientific applications / molecular / remote chemical databases / target chemical database / suitable site / molecule server / laboratory tools / online creation / data intensive computing / chemical_definition_file chemical_score_file flex_definition_file flex_drive_file ligand_contact_file ligand_chemical_file ligand_energy_file / process server / score_ligand minimize_ligand multiple_ligands random_seed anchor_search torsion_drive clash_overlap conformation_cutoff_factor torsion_minimize match_receptor_sites random_search / chemical database / scientific and commercial applications / local resource management systems / pharmaceutical / entity using resource management systems / molecular docking applications / runtime machinery / energy / parameter sweep applications using tools / chemical and geometric complementarities / parallel applications / Internet-wide / replica site / cost optimization scheduling algorithms / data intensive applications / receptor site / high-energy physics events processing / chemical entity / chemical database server / parameter sweep applications / job management / computing / job generation tool / chemical / energy-based scores / massive network / chemical databases / parameter anchor_search text default / resource broker / chemicals / macromolecular binding site / screening millions of compounds in chemical databases / / MarketIndex CDB / / OperatingSystem Linux / IRIX / Microsoft Windows / / Organization Data Movement / CDB Service on Grid Compute Node Figure / University of California in San Francisco / / Person GRACE CORE MIDDLEWARE FABRIC CDB / Dat / Grid Scheduler Grid / / Position site resource manager / broker / resource broker for processing jobs on Grid resources / drug designer / Nimrod-G broker for scheduling jobs on distributed resources / resource broker / process server / scheduler / Manager Nimrod Agent Do / / Nimrod-G broker / Nimrod-G resource broker / / Product Relenza / / ProvinceOrState California / / Technology Alpha / X-ray / peer-to-peer / Linux / computational chemistry / operating system / cost optimization scheduling algorithms / Drug Discovery / existing Grid technologies / Grid technologies / ASCII / HPC technologies / Drug Design / GUI / / SocialTag 
Chapter 7 The Virtual Laboratory: Enabling Drug Design on the Grid This chapter presents the design and development of a virtual laboratory environment that enables molecular modelling for drug design on geographically