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University of Massachusetts Amherst

Molecular dynamics

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Parametric Sensitivity Analysis For Stochastic Molecular Systems Using Information Theoretic Metrics, Anastasios Tsourtis, Yannis Pantazis, Markos Katsoulakis, Vagelis Harmandaris Jan 2013

Parametric Sensitivity Analysis For Stochastic Molecular Systems Using Information Theoretic Metrics, Anastasios Tsourtis, Yannis Pantazis, Markos Katsoulakis, Vagelis Harmandaris

Markos Katsoulakis

Background Stochastic modeling and simulation provide powerful predictive methods for the intrinsic understanding of fundamental mechanisms in complex biochemical networks. Typically, such mathematical models involve networks of coupled jump stochastic processes with a large number of parameters that need to be suitably calibrated against experimental data. In this direction, the parameter sensitivity analysis of reaction networks is an essential mathematical and computational tool, yielding information regarding the robustness and the identifiability of model parameters. However, existing sensitivity analysis approaches such as variants of the finite difference method can have an overwhelming computational cost in models with a high-dimensional parameter space. …