Sebastien Bernt

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Questions related from Sebastien Bernt

How to define receptor atoms in MOE?

How can a set/define atoms as being part of the receptor for docking in MOE? I have a covalently bonded ligand-receptor complex, and I would like to perform a docking experiment with the complex...

19 October 2020 9,839 2 View

AutoDock/AutoDockTools: How to set a non-protein residue as flexible in receptor?

Hello all, I am trying to choose torsions for an acyl complex, specifically a bond between a carbon and a cysteine sulfur. I can use the addBond command to create the bond, but the 'Choose...

14 October 2020 3,598 0 View