For molecules which exhibit only a single binding mode (molecules: 4XH, 6N6, 8NY, JF6, KJU, ONR, and TGX), we see from Table and Table , that MD is only able to recover 3/7 binding modes while BLUES is able to recover all 7/7 binding modes. In general, we find that through using BLUES simulations, we are able to recover the crystallographic binding mode much faster than standard MD. In some cases (e.g. 8NY, ONR, TGX) MD was able to quickly recover the crystallographic binding mode as docking had generated nearby starting poses (within 4Å ).