Hobey, William D.
The mechanisms by which drugs bind to proteins are of great interest in research today. Among the possible mechanisms, CH-n interactions may be a significant source of stabilization for this binding. The molecular modeling program Jaguar, from Schrodinger, Inc., was explored as a method of modeling CH-n interactions and judged a reasonable tool for studying these interactions. Naphthalene and naphthol molecules were modeled to help describe the magnitude of CH-n bonding energy between benzene and these conjugated aromatic rings.
Worcester Polytechnic Institute
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Chemistry and Biochemistry