BatchKi Reference Manual

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Computational Methods

Initial estimates of tight-binding inhibition constants are determined by using an original method reported in the literature [1]. The initial estimates are subsequently refined by using a modification of the Levenberg-Marquardt algorithm [2] for non-linear least-squares regression.

Confidence intervals at the given probability level are determined by using the profile-t method of Bates & Watts [3]. Optional optimization of enzyme concentrations is performed as described in ref. [4].

Robust regression analysis is performed by using a modification of Huber's Minimax method [5]. Initial estimates for exponential fit of reaction progress curves are computed by using the Legendre polynomial method described by Martin et al. [6].

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Petr Kuzmic | Jul 12 2008