DOCK Blaster:1157

I am confused on how to annotate and evaluate scoring in the Calibration Run. I chose to evaluate based on the size of the compound and how well the hits seemed to fill the space. Based on these floppy criteria, the B scoring method seemed to be superior in that compounds were less solvent-exposed than in A. As far as the "sampling" I am not sure what this means, but I assume it is the grid size. In any case, it seemed that in the 2.B. set there was a greater diversity of hits and they seemed to be more carefully placed. I chose to do the big Run with 2B. Comments: the importance and method of selecting parameters should be explained. Another issue revolves around the database choice. I seem to have only two choices: fragments or FDA-approved compounds. What about ZINC? It is not clear to me how one selects these databases.