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🆕 Generating 3D conformations for a database of small molecules

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Mar 13, 2026
4:45

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

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🆕 Generating 3D conformations for a database of small molecules | NatokHD