MEPSA: Minimum Energy Pathway Analysis for energy landscapes.
MEPSA: Minimum Energy Pathway Analysis for energy landscapes. A cross-platform user friendly tool for the analysis of energy landscapes from a transition state theory perspective. Some of its most relevant features are: identification of all the barriers and minima of the landscape at once, description of maxima edge profiles, detection of the lowest energy path connecting two minima and generation of transition state theory diagrams along these paths. By June 2024, it has been cited 79 times.
Basic Information
| Repository | http://bioweb.cbm.uam.es/software/MEPSA |
| Documentation | http://bioweb.cbm.uam.es/software/MEPSA |
| Main publication (DOI) | 10.1093/bioinformatics/btv453 view |
| Contact email | pagomez@cbm.csic.es |
| Authors/Maintainers | Paulino Gomez-Puertas |
| Type of application | R/python package |
| Programming languages | Python |
| Keywords | Computational Methods, Applications of Computational Biology, Structural bioinformatics, Computational models and simulations, Biomolecular simulation, Structure-function relationship, Drug Discovery and design |
Technical details
| Input file formats | |
| Output file formats | |
| Software compatibility | Linux, Windows |
| Hardware requirements | |
| Type of containerization | |
| Wrapper type | |
| Compatible tools | AMBER, OpenMM |
| Funding resource | National competitive funding, EU funding |
| Funding support |
Statistics
| Unique users (last 12 months) | |
| Unique users (since first release) | <100 |
| Software downloads (last 12 months) | |
| Software downloads (since first release) | |
| Jobs submitted (last 12 months) | |
| Jobs submitted (since first release) | |
| Repository clones (last 12 months) | |
| Repository clones (since first release) | |
| Citations (last 12 months) | <100 (~15 as of 15/10/2026) |
| Citations (since first release) | <100 |
| Early-stage researcher effort (development) | |
| Early-stage researcher effort (maintenance) | |
| Technician-supported effort (development) | |
| Technician-supported effort (maintenance) | |
| Other effort (development) | |
| Other effort (maintenance) | |
| Total effort (development) | |
| Total effort (maintenance) |