Building Science Gateways for Analysing Molecular Docking Results Using a Generic Framework and Methodology
- Submitting institution
-
The University of Westminster
- Unit of assessment
- 11 - Computer Science and Informatics
- Output identifier
- qzvx1
- Type
- D - Journal article
- DOI
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10.1007/s10723-020-09529-9
- Title of journal
- Journal of Grid Computing
- Article number
- -
- First page
- 529
- Volume
- 18
- Issue
- -
- ISSN
- 1570-7873
- Open access status
- Compliant
- Month of publication
- July
- Year of publication
- 2020
- URL
-
-
- Supplementary information
-
-
- Request cross-referral to
- -
- Output has been delayed by COVID-19
- No
- COVID-19 affected output statement
- -
- Forensic science
- No
- Criminology
- No
- Interdisciplinary
- No
- Number of additional authors
-
3
- Research group(s)
-
-
- Citation count
- 0
- Proposed double-weighted
- No
- Reserve for an output with double weighting
- No
- Additional information
- This paper describes a generic framework and a related methodology that supports the efficient development of science gateways for large scale molecular docking / virtual screening experiments and the further analysis of docking results. The paper is significant as this is the first attempt to formalise the description of such environments and provide a methodological approach involving both system developers and end user scientists. The framework enables the systematic reuse of existing building blocks when implementing complex gateways and therefore significantly fastens up the development process.
- Author contribution statement
- -
- Non-English
- No
- English abstract
- -
