Molecular Recognition is the Key to Drug Design and Peptide Conformation

Garland R. Marshall, Ph.D.

DEPARTMENT OF Biochemistry & Molecular Biophysics
Keywords: computational biology, molecular modeling, protein structure, signal transduction, GPCR/G protein

Our major focus is molecular recognition, which is the basis of intermolecular interactions and specificity seen in drug-receptor, hormone-receptor, antigen-antibody and substrate-enzyme systems. A variety of techniques are used to investigate these phenomena including: quantum chemistry, molecular mechanics, conformational analysis, molecular modeling and computer graphics for providing a theoretical basis of interaction; chemical synthesis including protein expression ligation for probing interactions; spectroscopy (NMR, EPR and FRET) for validating theoretical and experimental approaches; and bioassay for quantifying receptor interactions and assessing metabolism.

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