Fig. 1.

The general outline of the protocol used by our team in D3R GC4. Yellow elements indicate the stages of the pipeline; green elements indicate the data provided by the organizers; blue indicates publicly-available databases; and purple indicates the final submitted results. The MCMM, MD, and MD × MELD refinement stages were only used for refining with a cocrystallized receptor in Stage 1b and were skipped in Stage 1a