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Drug discovery / Computing / Medicinal chemistry / Molecular modelling / Protein structure / Docking / Nimrod / Grid computing / Chemical database / Chemistry / Science / Computational chemistry


The Virtual Laboratory: a toolset to enable distributed molecular modelling for drug design on the World-Wide Grid
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Document Date: 2004-02-16 23:54:15


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File Size: 1,01 MB

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City

Parkville / Melbourne / /

Company

John Wiley & Sons Ltd. / The Virtual Laboratory / Compaq / Distributed Systems Laboratory / /

Country

Australia / United Kingdom / /

Currency

USD / /

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Facility

Caulfield Campus / Cardiff University / Eliza Hall Institute / Monash University / The University of Melbourne / SOFTWARE STACK The Virtual Laboratory / University of California / /

IndustryTerm

active site / large chemical databases / data broker / local resource management / Chemical database management / scientific applications / molecular / remote chemical databases / target chemical database / suitable site / programmable grid resource broker / laboratory tools / online creation / data intensive computing / process server / application processing requirements / parallel processing / chemical database / scientific and commercial applications / pharmaceutical / entity using resource management systems / job processing / molecular docking applications / runtime machinery / parameter sweep applications using tools / chemical and geometric complementarities / parallel applications / Internet-wide / on-demand processing / replica site / cost optimization scheduling algorithms / intelligent access tools / storage systems / receptor site / high-energy physics events processing / chemical entity / parameter sweep applications / grid computing / job management / computing / chemical / energy-based scores / massive network / chemical databases / resource broker / macromolecular binding site / highperformance computing / screening millions of compounds in chemical databases / screening millions of compounds in the chemical database / /

MarketIndex

CDB / /

OperatingSystem

Linux / IRIX / Solaris / /

Organization

University of Melbourne / School of Computer Science and Software Engineering / Cardiff University / CDBm CDB Service on Grid Grid Node Compute Node Figure / Monash University / Eliza Hall Institute / University of California in San Francisco / /

Person

GRACE CORE MIDDLEWARE FABRIC CDB / AlgorithmN / /

Position

manager for establishing access price / local resource manager / site resource manager / Nimrod-G Grid Resource Broker / broker / programmable grid resource broker / Grid The Nimrod-G resource broker / drug designer / resource trading manager / Grid resource broker / programmable grid resource broker for processing jobs on grid resources / resource broker / process server / scheduler / Manager Nimrod Agent Do / / Nimrod-G broker / Nimrod-G resource broker / /

Product

Relenza / Nimrod / /

ProvinceOrState

Alabama / California / /

Technology

Alpha / X-ray / Linux / computational chemistry / cost optimization scheduling algorithms / Drug discovery / existing Grid technologies / Grid technologies / leveraging existing Grid technologies / ASCII / HPC technologies / drug design / parallel processing / GUI / /

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