Linear compartmental systems. IV. A software, under MS-Windows, for obtaining the instantaneous species concentrations in enzyme systems

• Published in: Journal of mathematical chemistry 2014-08, Vol.52 (7), p.1675-1689
• Main Authors: Garcia-Sevilla, Francisco, Garcia-Moreno, Manuela, Masia, Maria D., Gomez-Ladron de Guevara, Ricardo, Garcia-Molina, Maria M., Arribas, Enrique, Molina-Alarcon, Milagros, Amo, Maria L., Varon, Ramon
• Format: Article
• Language: English
• Subjects: Chemistry; Chemistry and Materials Science; Math. Applications in Chemistry; Original Paper; Physical Chemistry; Theoretical and Computational Chemistry
• ISSN: 0259-9791; 1572-8897
• DOI: 10.1007/s10910-014-0361-x

Software application is implemented in this work to take full advantage of the characteristics of current operating systems and to provide the optimized symbolic kinetic equations for both enzyme and ligand species involved in enzyme reactions. This software, called SKEE-w2013, is implemented using C# language and runs under all operating systems from Windows XP up to Windows 8. It is applicable to any enzyme reaction mechanism that fits the general reaction scheme proposed previously by our group. It can be downloaded, free of charge, from http://oretano.iele-ab.uclm.es/~BioChem-mg/software.php . Besides the optimized equations, the software can provide non-optimized equations, so that the user can compare the advantage of using optimized equations rather than the non-optimized ones, whenever they do not coincide. Moreover, the software circumvents the limitations of other existing previous software tools implemented with what are nowadays obsolete programming languages and that, moreover, are limited to non-optimized kinetic equations.