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MEPSA specifications


Unique identifier OMICS_17040
Alternative name Minimum Energy Path Surface Analysis
Software type Package/Module
Interface Graphical user interface
Restrictions to use None
Input format TXT
Output format TXT
Operating system Unix/Linux
Programming languages Python
License GNU General Public License version 3.0
Computer skills Medium
Stability Stable
Source code URL
Maintained Yes


No version available



  • person_outline Paulino Gomez-Puertas <>

Publication for Minimum Energy Path Surface Analysis

MEPSA citations


The general Assembly of the International Association of Environmental Mutagenesis and Genomics Societies (IAEMGS) in 2017

PMCID: 5937040
DOI: 10.1186/s41021-018-0097-0

[…] funds are critically important to adequately maintain and improve the activities of iaemgs. finally, he acknowledged the executive board members of iaemgs (2013 to 2017), i.e., michael f. fenech (mepsa), the secretary; byung-mu lee (kems), the vice-president; catarina s. takahashi (mutagen-brasil), the vice-president; masami yamada (jems), the treasurer and bob bevans-kerr (bk association […]


Two step ATP driven opening of cohesin head

PMCID: 5468275
PMID: 28607419
DOI: 10.1038/s41598-017-03118-9

[…] for each map) are depicted in fig. . in each case, the minimum energy pathway along the calculated free-energy surfaces (cyan and red lines on the maps in fig. ) was calculated using the mepsa algorithm, by extracting the minimum free-energy path of the reaction from the substrate s (the initial atp molecule) to the product p (final adp molecule plus inorganic phosphate group), […]

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MEPSA institution(s)
Molecular Modelling Group, CBMSO (CSIC-UAM), Madrid, Spain; Departamento de Arquitectura de Computadores y Automática, UCM, Madrid, Spain; Departamento de Física Teórica de la Materia Condensada and Condensed Matter Physics Center (IFIMAC), UAM, Madrid, Spain; Biomol-Informatics SL, Campus UAM, Madrid, Spain
MEPSA funding source(s)
Supported by the Government of Spain (Grant IPT2011-0964-900000) and by the European Social Fund.

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