Garland R. Marshall, Ph.D.
Professor
Biochemistry and Molecular Biophysics
Center for Computational Biology
Biomedical Engineering
Computational and Molecular Biophysics Program
Computational and Systems Biology Program
Biochemistry Program
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Office Phone: 314-362-1567
Lab Phone: 314-935-8637
Other Phone: 314-362-2273
FAX: 314-747-3330
Box: 8231
Lab Address: Center for Computational Biology; 700 S. Euclid Ave., Room 2201
Email: GARLAND@BIOCHEM.WUSTL.EDU
Website: http://www.cmd.wustl.edu/
Keywords: computational biology; molecular modeling; protein structure; GPCR/G-protein; signal transduction
Short Research Description: Molecular recognition is the key to drug design and peptide conformation. |
Research Abstract:
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. |
Selected Publications:
Feng JW, Kao J and Marshall GR. A Second Look at Mini-Protein Stability: Analysis of FSD-1 using CD, DSC and Simulations. Biophysical J 2009 (In Press).
Arbor S, Marshall GR. A virtual library of constrained cyclic tetrapeptides that mimics all four side-chain orientations for over half the reverse turns in the protein data bank. J Comput Aided Mol Des 2009 23: 87-95.
Taylor CM, Barda Y, Down M, Kisselev OG, Nikiforovich GV, Marshall GR. Modulating rhodopsin/ transducin signal transduction by small molecules suggested by virtual screening. J Med Chem 2008 51(17):5297-303
Cegelski L, Marshall GR, Eldridge GR, Hultgren SJ. The biology and future prospects of antivirulence therapies. Nat Rev Microbiol 2008 6: 17-27.
Nikiforovich GV, Marshall GR, Baranski TJ. Modeling molecular mechanisms of binding of the anaphylatoxin c5a to the c5a receptor. Biochemistry 2008 47: 3117-30. |