Published April 28, 2026
| Version version 1
Software
Open
FMOPhore
Authors/Creators
Contributors
Researcher (2):
Supervisor (4):
-
1.
University of Dundee
Description
FMOPhore is a Python package designed for hotspot identification and classification. It facilitates the preparation and processing of protein and ligand structures, as well as advanced quantum mechanics (QM) calculations. The tool supports various features, including binding energy calculations, and analysis MD trajectory processing.
Files
fmophore-main.zip
Additional details
Identifiers
Related works
- Is supplement to
- Software: 10.1038/s41467-026-72384-x (DOI)
Funding
- Wellcome Trust
- Wellcome Trust Centre Award 203134/A/16/Z
Dates
- Available
-
2026-04-28publication date
Software
- Repository URL
- https://github.com/DDU-CDD/fmophore
- Programming language
- Python
References
- 10.1038/s41467-026-72384-x