 | Acta Crystallographica Section D Acta Crystallographica Section D BIOLOGICAL CRYSTALLOGRAPHY |
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![[Figure 4]](hv5052fig4mag.jpg)
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Figure 4
Shape-strain energy required to align fitted and target conformations versus energy difference between docked and relaxed ligands. Plots (a) and (b) were obtained with analytical gradients of potential (1) ![[link]](../../../../../../logos/arrows/d_arr.gif) via equation (3) with one and five Gaussians per atom, respectively. The data in plot (c) were obtained with a target shape density (7) represented by grid representations at 0.25 Å spacing. |
![[Figure 4]](hv5052fig4.jpg)
| BIOLOGICAL CRYSTALLOGRAPHY |
ISSN: 1399-0047
