🆕 Generating 3D conformations for a database of small molecules
This video shows how to generate 3D conformations for a database of small molecules and superpose them to a common core. Conformational databases are useful as input to docking or pharmacophore searching.
0:41 Generating conformations
1:49 LowModeMD conformational search
3:00 Inspecting conformations in the MOE window
3:40 Superposing conformations to a common core