BIOEQS-Graphic User Interface USER MANUAL

Catherine Royer, Joseph Beechem and Tilman Rosales

Download BioEQS software (zip package including setup.exe)

(Documentation included in the software)

Bioeqs is a data fitting software package designed for analysis of data for biomolecular interactions and conformational changes. The fitting algorithm is a Marquardt-Levenberg least squares algorithm, typical of many available data analysis routines. The uniqueness of BIOEQS lies in the solver, used to calculate the observable values from the input parameters. While most available programs use closed-form analytical expressions for the binding isotherms, BIOEQS uses a numerical algorithm based on constrained optimization with Lagrange multipliers to solve the set of free energy equations for a given model, in terms of the species concentration vector, given the mass balance constraints for the elements.

References:

Royer, C. A., Smith, W. R. and Beechem, J.M. Analysis of Binding in Macromolecular Complexes: A Generalized Numerical Approach, Analytical Biochem 192:287 (1991).

Royer, C. A. and Beechem, J.M. Numerical Analysis of Binding Data: Advantages, Practical Aspects and Implications, Methods in Enzymology, Vol. 210: 481. (1992).

Royer, C. A. Improvements in the Numerical Analysis of Thermodynamic Data from Biomolecular Complexes Analytical Biochem. 210, 91-97 (1993).