title: A graphical user interface for BIOEQS: a program for simulating and analyzing complex biomolecular interactions.
abstract: BIOEQS is a global analysis and simulation program for complex biomolecular interaction data developed during the 1990s. Its continued usefulness derives from the fact that it is based on a numerical solver for complex coupled biological equilibria rather than on closed-form analytical equations for the binding isotherms. Therefore, it is quite versatile, allowing easy testing of multiple binding models and analysis of systems too complex for closed-form solutions. However, a major drawback to a generalized use of this program has been the lack of a graphical user interface (GUI) for setting up the binding models and experimental conditions as well as for visualizing the results. We present here a new GUI for BIOEQS that should be useful in both research and teaching applications.
authors.affiliation: Laboratory of Molecular Biophysics, Optical Spectroscopy Section, National Heart, Lung, and Blood Institute, National Institutes of Health, Bethesda, MD 20892, USA.
authors.forename: Tilman
authors.initials: T
authors.lastname: Rosales
authors.forename: Catherine A
authors.initials: CA
authors.lastname: Royer
mesh_terms: D000465:Algorithms; D003196:Computer Graphics; D003198:Computer Simulation; D008956:Models, Chemical; D012984:Software; D012985:Software Design; D014584:User-Computer Interface