A general numerical methodology for parametric sensitivity analysis is proposed, which allows to determine the parameters exerting the greatest influence on the output of a stochastic computational model, especially when the knowledge about the actual value of a parameter is insufficient. An application of the procedure is performed on a model of protocell, in order to detect the kinetic rates mainly affecting the capability of a catalytic reaction network enclosed in a semi-permeable membrane to retain material from its environment and to generate a variety of molecular species within its boundaries. It is shown that the former capability is scarcely sensitive to variations in the model parameters, whereas a kinetic rate responsible for profound modifications of the latter can be identified and it depends on the specific reaction network. A faster uptaking of limited resources from the environment may have represented a significant advantage from an evolutionary point of view and this result is a first indication in order to decipher which kind of structures are more suitable to achieve a viable evolution. © 2012 Elsevier Ltd.

Damiani, C., Filisetti, A., Graudenzi, A., Lecca, P. (2013). Parameter sensitivity analysis of stochastic models: Application to catalytic reaction networks. COMPUTATIONAL BIOLOGY AND CHEMISTRY, 42, 5-17 [10.1016/j.compbiolchem.2012.10.007].

Parameter sensitivity analysis of stochastic models: Application to catalytic reaction networks

Damiani C
;
Graudenzi A;
2013

Abstract

A general numerical methodology for parametric sensitivity analysis is proposed, which allows to determine the parameters exerting the greatest influence on the output of a stochastic computational model, especially when the knowledge about the actual value of a parameter is insufficient. An application of the procedure is performed on a model of protocell, in order to detect the kinetic rates mainly affecting the capability of a catalytic reaction network enclosed in a semi-permeable membrane to retain material from its environment and to generate a variety of molecular species within its boundaries. It is shown that the former capability is scarcely sensitive to variations in the model parameters, whereas a kinetic rate responsible for profound modifications of the latter can be identified and it depends on the specific reaction network. A faster uptaking of limited resources from the environment may have represented a significant advantage from an evolutionary point of view and this result is a first indication in order to decipher which kind of structures are more suitable to achieve a viable evolution. © 2012 Elsevier Ltd.
Articolo in rivista - Articolo scientifico
Catalytic reaction networks; Protocell; Sensitivity coefficient; Stochastic modeling; Catalytic Domain; Computer Simulation; Models, Biological; Biochemistry; Structural Biology; Organic Chemistry; Computational Mathematics;
English
6-nov-2012
2013
42
5
17
reserved
Damiani, C., Filisetti, A., Graudenzi, A., Lecca, P. (2013). Parameter sensitivity analysis of stochastic models: Application to catalytic reaction networks. COMPUTATIONAL BIOLOGY AND CHEMISTRY, 42, 5-17 [10.1016/j.compbiolchem.2012.10.007].
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/10281/60612
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