Detalle de: MEPSAnd: minimum energy path surface analysis over n-dimensional surfaces
| Title | MEPSAnd: minimum energy path surface analysis over n-dimensional surfaces |
| Abstract |
Summary n-dimensional energy surfaces are becoming computationally accessible, yet interpreting their information is not straightforward. We present minimum energy path surface analysis over n-dimensional surfaces (MEPSAnd), 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. Availability and implementation MEPSAnd is freely available (under GPLv3 license) at: http://bioweb.cbm.uam.es/software/MEPSAnd/. Supplementary information Supplementary data are available at Bioinformatics online. |
| Apa Reference | Marcos-Alcalde, I., López-Viñas, E., & Gómez-Puertas, P. (2019). MEPSAnd: minimum energy path surface analysis overn-dimensional surfaces. Bioinformatics, 36(3), 956–958. 10.1093/bioinformatics/btz649 |
| Doi | 10.1093/bioinformatics/btz649 |
| Publication Date | 16 Aug 2019 |
| Publication Type | Software |
| Researcher | Paulino Gomez-Puertas |
| Ontology | Bioinformatics Software and Tools, Desktop application |
| Research Groups | Molecular Modeling Group |
| Tools | MEPSAnd: minimum energy path surface analysis over n-dimensional surfaces. |