[MMTK] Dealing with non-protein ligands

vanitha@cs.wisc.edu vanitha at cs.wisc.edu
Thu Mar 16 17:53:19 CET 2006


I am looking at protein-ligand pairs where the ligands are either sugars
or amino acids. What would I read these in as? For example, I'm looking at
Maltodextrin Binding Protein (receptor) & Glucose (ligand) and Glutamine
Binding Protein (receptor) & Glutamine (ligand). My goal is to read in
these two that have been docked using a rigid-body docking program and
applying some  tricks to refine the docked configuration so as to minimize
the energy of the complex further. Sorry if this is a trivial question!

Thanks a lot in advance,

- Vanitha




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