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Ieong et al., 2014 - Google Patents

Progress towards automated Kepler scientific workflows for computer-aided drug discovery and molecular simulations

Ieong et al., 2014

View PDF
Document ID
13062836516253404084
Author
Ieong P
Sørensen J
Vemu P
Wong C
Demir
Williams N
Wang J
Crawl D
Swift R
Malmstrom R
Altintas I
Amaro R
Publication year
Publication venue
Procedia computer science

External Links

Snippet

We describe the development of automated workflows that support computed-aided drug discovery (CADD) and molecular dynamics (MD) simulations and are included as part of the National Biomedical Computation Resource (NBCR). The main workflow components …
Continue reading at www.sciencedirect.com (PDF) (other versions)

Classifications

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    • G06F9/46—Multiprogramming arrangements
    • G06F9/50—Allocation of resources, e.g. of the central processing unit [CPU]
    • G06F9/5061—Partitioning or combining of resources
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    • G06F9/5005—Allocation of resources, e.g. of the central processing unit [CPU] to service a request
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    • G06F9/5038—Allocation of resources, e.g. of the central processing unit [CPU] to service a request the resource being a machine, e.g. CPUs, Servers, Terminals considering the execution order of a plurality of tasks, e.g. taking priority or time dependency constraints into consideration
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    • G06Q10/063—Operations research or analysis
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