wScatFit:

Francisco A. Ocaña Lara

Facultad de Farmacia

Depto. de Estadística e Investigación Operativa

Universidad de Granada

focana@ugr.es

Contents

• Abstract
• Download files
• Bibliography

Abstract

wScatFit is a computer program which carries out the estimation of the parameters in the equation which models non-cooperative ligand-lattice interactions. This mathematical model, which is derived in McGhee and von Hippel (1974), is a nonlinear equation and can be considered as a generalization from the Scatchard Equation.

wScatFit perform several ad hoc statistical-based procedures for estimating the binding parameters. Several alternative estimations are then provided with each wScatFit run.

The idea for implementing several alternative estimating procedures is based on the probabilistic behaviour of the random noisy error involved in data observation. In the lab the observation yields to measures (data) corrupted by a random noise, whose probability distribution is unknown. Since this random noise (observation error) can affect to truly observations in different ways, different procedures are to be considered to estimate the binding parameters, where each of them is focused in an observation error setting. More details can be obtained in Talavera et al (2002).

Download files

• wScatFit guide (PDF document)
• wScatFit program
• Example: a datafile (*.DAT)
• Example: a output file (*.OUT)

Bibliography

• McGhee, J. and von Hippel, P. (1974). Theoretical aspects of DNA-protein interactions: co-operative and non co-operative binding of large ligands to a one-dimensional homogeneous lattice. Journal of Molecular Biology 86, 469-489.
• Talavera, E.M., Guerrero, P., Ocana, F. and Alvarez-Pez, J.M. (2002). Photophysical and Direct Determination of Binding Constants of Ethidium Bromide complexed to E. coli DNA. Applied Spectroscopy 56(3),