High quality rendering of protein dynamics in space filling mode
- Submitting institution
-
The University of East Anglia
- Unit of assessment
- 11 - Computer Science and Informatics
- Output identifier
- 182621333
- Type
- D - Journal article
- DOI
-
10.1016/j.jmgm.2017.09.017
- Title of journal
- Journal of Molecular Graphics and Modelling
- Article number
- -
- First page
- 158
- Volume
- 78
- Issue
- -
- ISSN
- 1093-3263
- Open access status
- Compliant
- Month of publication
- November
- Year of publication
- 2017
- 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
- Yes
- Number of additional authors
-
4
- Research group(s)
-
-
- Citation count
- 2
- Proposed double-weighted
- No
- Reserve for an output with double weighting
- No
- Additional information
- This paper presents techniques for the high quality visualization of molecules as they deform. It utilizes GPU-accelerated regular grids to achieve rendering of trajectory files for structures comprising up to 300,000 atoms. Obtaining a visualisation of shadows and pockets is very important when identifying potential binding sites for molecular docking. The visualisation techniques presented here are used in the authors' interactive molecular docking software Flexidock, which is available free for non-commercial use.
- Author contribution statement
- -
- Non-English
- No
- English abstract
- -