Extending Molecular Docking Desktop Applications with Cloud Computing Support and Analysis of Results
- Submitting institution
-
The University of Westminster
- Unit of assessment
- 11 - Computer Science and Informatics
- Output identifier
- qq54q
- Type
- D - Journal article
- DOI
-
10.1016/j.future.2019.03.017
- Title of journal
- Future Generation Computer Systems
- Article number
- -
- First page
- 814–824
- Volume
- 97
- Issue
- -
- ISSN
- 0167-739X
- Open access status
- Compliant
- Month of publication
- March
- Year of publication
- 2019
- 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
- 2
- Proposed double-weighted
- No
- Reserve for an output with double weighting
- No
- Additional information
- The paper presents a generic approach for extending molecular docking desktop applications with cloud computing support and storing and sharing previous results. The paper is significant as it provides a generic methodology for cloud-enabling such legacy applications and supporting bio-scientists when executing large scale molecular docking experiments. The resulting solution is cloud agnostic and can be applied on both private and public clouds. The implemented solution was successfully applied by life-scientists at the University of Westminster both in teaching and research, and was also demonstrated to secondary school students during Annual School Science conference events in 2018-2019.
- Author contribution statement
- -
- Non-English
- No
- English abstract
- -
