Title : Accurate prediction of the bound conformation of galanthamine in the active site of Torpedo californica acetylcholinesterase using molecular docking.

Pub. Date : 2001

PMID : 11449566






1 Functional Relationships(s)
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1 Herein, we correctly predict the orientation and conformation of the galanthamine molecule in the active site of AChE from Torpedo californica (TcAChE) using a combination of rigid docking and flexible geometry optimization with a molecular mechanics force field. Galantamine acetylcholinesterase (Cartwright blood group) Homo sapiens