Hi all:
If have used SC previously to calculate shape complimentarity for macromolecular complexes. Can this also be used to calculate shape complimentarity for a (say) protein/small molecule inhibitor complex? Or is there some other metric/software that can/should be used to quantitate how well a small molecule fits a pocket?
thanks
-tom
Tom J. Brett, PhD
Assistant Professor of Medicine
Division of Pulmonary and Critical Care
Washington University School of Medicine
Campus Box 8052, 660 S. Euclid
Saint Louis, MO 63110
http://brettlab.dom.wustl.edu/
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