Marcus J. Edwards, Mark A. Williams, Anthony Maxwell and Adam R. McKay (2011). Mass spectrometry reveals the antibiotic simocyclinone D8 binds DNA gyrase in "bent over" conformation: evidence for positive coperativity. Biochemistry, in press


Analysis of ligand binding to dimers

Software developed in Mathematica for the analysis of the affinities and any cooperativity in ligand binding to a dimer (or other molecule containing two equivalent binding sites). The approach requires data on the fractional populations of all three species (apo, singly and doubly bound) such as may be obtained from mass spectrometry or NMR data. This is an implementation of the methodology described in Edwards et al. (2011). This version developed for Mathematica 7. Example ouput can be found here.


The Mathematica package and notebook . Please contact me if there are any problems with these files.