🆕 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.
[link]video.chemcomp[d]com/watch/mEGY24Z6DfWCowo9iqFn7U?second=41&autoplay=1[label]0:41 Generating conformations [link end]
[link]video.chemcomp[d]com/watch/mEGY24Z6DfWCowo9iqFn7U?second=106&autoplay=1[label]1:49 LowModeMD conformational search[link end]
[link]video.chemcomp[d]com/watch/mEGY24Z6DfWCowo9iqFn7U?second=180&autoplay=1[label]3:00 Inspecting conformations in the MOE window [link end]
[link]video.chemcomp[d]com/watch/mEGY24Z6DfWCowo9iqFn7U?second=220&autoplay=1[label]3:40 Superposing conformations to a common core [link end]
