Using the new POdock software, we have obtained promising initial results indicating that the changes in binding strengths along a path may be good predictors of which ligands will activate a given receptor. POdock offers a feature not commonly found in docking software, which is the ability to move each generated pose along a path […]
Read MoreFor purposes of researching more accurate computation and prediction of receptor-ligand interactions and receptor activation by agonists, we have created a molecular docker. Like other software packages such as AutoDock and LeDock, our application finds ligand conformers (poses) inside binding pockets of proteins and is available free of charge. But in addition, POdock outputs not […]
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