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Output details

11 - Computer Science and Informatics

University of Westminster

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Article title

Large-scale virtual screening experiments on Windows Azure-based cloud resources

Type

D - Journal article

DOI

10.1002/cpe.3113

Title of journal

Concurrency and Computation: Practice and Experience

Article number

Volume number

n/a

Issue number

First page of article

n/a

ISSN of journal

15320626

Year of publication

2013

URL

Number of additional authors

Additional information

<02> Originality: A novel framework for molecular docking simulation is implemented on Windows Azure-based cloud. Virtual machines are instantiated in the cloud on demand, scaling up simulations according to volume of molecules to be docked and available financial resources. Bioscientists with little computing knowledge are able to execute simulations and visualise results from a high-level user interface.

Significance: Large-scale molecular docking experiments require vast of computing resources. This solution demonstrates feasibility of the novel Azure platform and provides first benchmarking experiments to evaluate suitability of the infrastructure for computation-intensive simulations.

Rigour: The paper describes experiences in implementation within novel cloud environment.

Interdisciplinary

Cross-referral requested

Research group

None

Citation count

Proposed double-weighted

Double-weighted statement

Reserve for a double-weighted output

Non-English

English abstract