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/
