Videos

Surflex eSim3D, ligand-based design

Dec 21, 2021

Surflex eSim3D, ligand-based design

Dec 21, 2021

This video gives a brief overview of StarDrop’s Surflex eSim3D module, providing you with access to industry-leading 3D ligand-based design methods through a highly user-friendly interface. It compares compounds based on similarities in molecular shape, electrostatic fields and directional hydrogen-bonding preferences (eSim), using ensembles of 3D conformations generated using the fast and rigorous ForceGen algorithm.

 

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