[Chimera-users] chemdraw addins
tud51221 at temple.edu
Wed Aug 31 14:07:37 PDT 2011
I am a big fan of your software and would like to use it in greater capacities (primarily for drug discovery). Is there a way to dock molecules (or better yet import chemdraw files) into chimera and then swap those structures in for ligands bound to crystal structures? I would like to model proposed compounds into a binding site of a protein and riboswitch both of which have the ligand bound in the crystal structure. Ideally I would like to import a chemdraw file which could be minimized by chimera and then be able to limit the docking to the ligand binding area and minimize again. That way I can see how the new analog changes the conformation of the protein. Any help would be greatly appreciated! If it would be easier to chat on the phone please feel free to call the number below. Have a great week!
Dr. Bill Wuest
Assistant Professor of Chemistry
130 Beury Hall, Office 448
1901 N. 13th St.
Philadelphia, PA 19122
Email: wwuest at temple.edu
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