MEPSAnd: minimum energy path surface analysis over n-dimensional surfaces.
MEPSAnd: minimum energy path surface analysis over n-dimensional surfaces. An open source GUI-based program that natively calculates minimum energy paths across energy surfaces of any number of dimensions. Among other features, MEPSAnd can compute the path through lowest barriers and automatically provide a set of alternative paths. MEPSAnd offers distinct plotting solutions as well as direct python scripting.
Basic Information
| Repository | http://bioweb.cbm.uam.es/software/MEPSAnd/ |
| Documentation | http://bioweb.cbm.uam.es/software/MEPSAnd/ |
| Seminar | Iñigo Marcos-Alcalde (CBM-CSIC) presents the tool MEPSAnd |
| Main publication (DOI) | 10.1093/bioinformatics/btz649 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 | |
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| Software compatibility | Linux, Windows |
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| 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 |
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| Repository clones (last 12 months) | |
| Repository clones (since first release) | |
| Citations (last 12 months) | <100 (~6 as of 15/10/2026) |
| Citations (since first release) | <100 (27 as of 15/10/2026) |
| Early-stage researcher effort (development) | |
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