OpenEye Scientific Software

 

What can you tell me about the jnk.vs.2 experiment?

jnk.vs.2 is the JNK3 Kinase virtual screening experiment in which a drug-like co-crystal structure is provided. You will be given the same ligands as in the jnk.vs.1 experiment. Obviously, many other JNK3 Kinase structures are available, however, for the integrity of the experiment, we ask that for this experiment, you only use the protein structures from experiments jnk.vs.1 and jnk.vs.2. Given that limitation, feel free to use other professional modeling methods as long as you document them in a fashion that will allow them to be repeated.

Again, the submitted data for this experiment will be a ranking of all the ligands in your methods preferred order. For 3D methods, it would be valuable if the submission contained Cartesian coordinates in the reference frame of the co-crystal structure, but this isn't strictly necessary.