SYSMOLE

SYMOLE is a hybrid computational-analytical tool to obtain molecular kinetic schemes

SYSMOLE is a hybrid computational-analytical tool that derives a molecular kinetic scheme from stimulus-response cellular macroscopic traces. SYSMOLE utilizes system-identification input-output analysis to obtain a transfer function between the stimulus and the overall cellular response in the Laplace-transformed domain. It then derives a Markov-chain state molecular kinetic scheme uniquely associated with the transfer function by means of a classification procedure and an analytical step that imposes general biological constraints.
A description of the tool, its robustness to noise, and examples of its application to experimental traces can be found in "Elucidation of Molecular Kinetic Schemes from Macroscopic Traces using System Identification" Fribourg M., Logothetis D. E., González-Maeso J., Sealfon S. C., Galocha-Iragüen B., Las Heras Andrés F., and Brezina V. PloS Computational Biology, 2017. http://dx.doi.org/10.1371/journal.pcbi.1005376