Figure 1

Example of the correlation between the results of two docking programs. For estrogen receptor alpha (ESR1; structure 3ERT), each point corresponds to the rank of a molecule for AutoDock Vina versus the rank of the same molecule in ICM (see Methods). Red and grey circles are ligands and decoys, respectively. There is a poor correlation between the results of docking programs, and some ligands can be ranked well by one program but poorly by another (red circles in blue region). Traditional consensus approaches only take the best molecules for all programs (yellow region), acting as a conditional “and”, whereas the novel exponential consensus ranking (ECR) strategy takes the best molecules from either program, acting as a conditional “or” (taking both the yellow and blue regions).