Selected peer-reviewed publications (from 2006 in chronological order).
1.Anderson, M. A.; Ogbay, B.; Arimoto, R.; Sha, W.; Kisselev, O. G.; Cistola, D. P.; Marshall, G. R., Relative Strength of Cation-pi vs Salt-Bridge Interactions: The G(t)alpha(340-350) Peptide/Rhodopsin System. J Am Chem Soc 2006, 128, (23), 7531-7541. PMID: 16756308 Anderson1.pdf
2.Hata, M. and Marshall, G.R. 2006. Do benzodiazepines mimic reverse-turn structures? J Comput Aided Mol Des 20(5): 321-331. Hata.pdf
3.Nikiforovich, G.V., Zhang, M., Yang, Q., Jagadeesh, G., Chen, H.C., Hunyady, L., Marshall, G.R., and Catt, K.J. 2006. Interactions between conserved residues in transmembrane helices 2 and 7 during angiotensin AT1 receptor activation. Chem Biol Drug Des 68(5): 239-249. GN CBDD AII.pdf
4.Che, Ye and G. R. Marshall. Engineering Cyclic Tetrapeptides Containing Chimeric Amino Acids as Preferred Reverse-Turn Scaffolds. J Med Chem 2006, 49:111-124. PMID: 16392797 Che1.pdf
5.Våbenø, J., Nikiforovich, G.V., and Marshall, G.R. 2006. Insight into the binding mode for cyclopentapeptide antagonists of the CXCR4 receptor. Chem Biol Drug Des 67(5): 346-354. Våbenø1.pdf
6.Nikiforovich, G.V. and Marshall, G.R. 2006. 3D modeling of the activated states of constitutively active mutants of rhodopsin. Biochem Biophys Res Commun 345(1): 430-437. GN BBRC.pdf
7.Våbenø, J.; Nikiforovich, G. V.; Marshall, G. R., A minimalistic 3D pharmacophore model for cyclopentapeptide CXCR4 antagonists. Biopolymers 2006, 84, (5), 459-471. PMID: 16552740 Våbenø2.pdf
8.Ye, Y.; Liu, M.; Kao, J.-L.; Marshall, G. R., Novel trihydroxamate-containing peptides: design, synthesis, and metal coordination. Biopolymers 2006, 84(5):472-489. PMID: 16705688 Ye1.pdf
9.Downs, M.A., R. Arimoto, G. R. Marshall and O. G. Kisselev. G-protein alpha and beta-gamma subunits interact with conformationally distinct signaling states of rhodopsin. Vision Res, 2006, 46:4442-4448. PMID: 16989885 Downs.pdf
10. Nikiforovich, G.V., Taylor, C.M., and Marshall, G.R. 2007. Modeling of the complex between transducin and photoactivated rhodopsin, a prototypical G-protein-coupled receptor. Biochemistry 46(16): 4734-4744. Nikiforovich1.pdf
11. Nikiforovich, G.V., Marshall, G.R., and Achilefu, S. 2007. Molecular modeling suggests conformational scaffolds specifically targeting five subtypes of somatostatin receptors. Chem Biol Drug Des 69(3): 163-169. GN CBDD.pdf
12. Zhang, X., Nikiforovich, G.V., and Marshall, G.R. 2007. Conformational templates for rational drug design: flexibility of cyclo(D-Pro1-Ala2-Ala3-Ala4-Ala5) in DMSO solution. J Med Chem 50(12): 2921-2925. XZhang.pdf
13. Che, Y., B. R. Brooks, and G. R. Marshall. Protein Recognition Motifs: Design of Peptidomimetics of Helix Surfaces. Biopolymers, 2007 86(4):288-297. PMID: 17443711 Che2.pdf
14. Taylor, C. M.; Nikiforovich, G. V.; Marshall, G. R., Defining the Interface between the C-terminal Fragment of α-Transducin and Photoactivated Rhodopsin. Biophys J 2007, 92(12):4325-4334. PMID: 17351008 Taylor1.pdf
15. Feng, J., Tessler, L.A., and Marshall, G.R. 2007. Chimeric Protein Engineering. Int J Peptide Res Therap 13(1-2): 151-160. Feng IJPRT.pdf
16. Che, Y., B. R. Brooks, D. P. Riley, A. J.H. Reaka and G. R. Marshall. Engineering Metal Complexes of Chiral Pentaazacrowns as Privileged Reverse-Turn Scaffolds. Chem Biol Drug Des 2007 69:99-110. PMID: 17381723 Che3.pdf
17. Schweitzer-Stenner, R.; Gonzales, W.; Bourne, G. T.; Feng, J. A.; Marshall, G. R. Conformational Manifold of alpha-Aminoisobutyric Acid (Aib) Containing Alanine-Based Tripeptides in Aqueous Solution Explored by Vibrational Spectroscopy, Electronic Circular Dichroism Spectroscopy, and Molecular Dynamics Simulations. J Am Chem Soc 2007, 129, 13095-109. PMID: 17918837 Schweitzer-Stenner.pdf
18. Che, Y. and Marshall, G.R. 2008. Privileged scaffolds targeting reverse-turn and helix recognition. Expert Opin Ther Targets 12(1): 101-114. Che4.pdf
19. Ye, Y.; Liu, M.; Kao, J. L.; Marshall, G. R. Design, synthesis, and metal binding of novel pseudo-oligopeptides containing two phosphinic acid groups. Biopolymers 2008, 89, 72-85. PMID: 17910046 Ye2.pdf
20.Arbor, S., Kao, J., Wu, Y., and Marshall, G.R. 2008. c[D-pro-Pro-D-pro-N-methyl-Ala] adopts a rigid conformation that serves as a scaffold to mimic reverse-turns. Biopolymers 90(3): 384-393. Arbor1.pdf
21.Marshall, G.R., Kuster, D.J., and Che, Y. 2008. Chemogenomics with Protein Secondary Structure Mimetics. In Chemogenomics: Methods and Applications, (ed. E. Jacoby). The Humana Press Inc., Totowa, NJ.
22.Marshall, G.R., Feng, J.A., and Kuster, D.J. 2008. Back to the future: Ribonuclease A. Biopolymers 90(3): 259-277. Marshall1.pdf
23.Nikiforovich, G.V., Marshall, G.R., and Baranski, T.J. 2008. Modeling molecular mechanisms of binding of the anaphylatoxin c5a to the c5a receptor. Biochemistry 47(10): 3117-3130. (Nikiforovich1.pdf)
24.Cegelski, L.; Marshall, G. R.; Eldridge, G. R.; Hultgren, S. J. The biology and future prospects of antivirulence therapies. Nature Rev Microbiol 2008, 6, 17-27. PMID: 18079741 Cegelski.pdf
25.Taylor, C. M.; Barda, Y.; Down, M.; Kisselev, O. G.; Nikiforovich, G. V.; Marshall, G. R. Modulating rhodopsin/ transducin signal transduction by small molecules suggested by virtual screening. J Med Chem 2008, 51(17):5297-303. PMID: 18707087 Taylor2.pdf
26.Taylor, C. M., Rockweiler, N. B., Liu, C., Rikimaru, L., Tunemalm, A.-K., Kisselev, O. G., and Marshall, G. R. Using Ligand-Based Virtual Screening to Allosterically Stabilize the Activated State of a GPCR, Chem Biol Drug Des 2010, 75, 325-332. Taylor3.pdf
27.Nikiforovich, G. V., Taylor, C. M., Marshall, G. R., and Baranski, T. J. (2010) Modeling the possible conformations of the extracellular loops in G-protein-coupled receptors, Proteins 2010, 78, 271-285. PMID19731375 Nikiforovich3.pdf
28.Feng, J. W.; Kao, J.; Marshall, G. R. A Second Look at Mini-protein Stability: a Critical Analysis of FSD-1 using Circular Dichroism, Calorimetry, Molecular Simulations and NMR. Biophys J 2009, 97:2803-2810. PMID: 19917235 Feng1.pdf
29.Arbor, S. and Marshall, G.R. 2009. 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 23(2): 87-95. Arbor2.pdf
30.Yang, R., Yang, K. S., Pike, L. J., and Marshall, G. R. (2010) Targeting the Dimerization of EGF Receptors with Small-Molecule Inhibitors, Chem Biol Drug Des 76, 1-9. Yang.pdf
31.Feng, J.W. and Marshall, G.R. 2010. SKATE: A Docking Program that Decouples Systematic Sampling from Scoring. J Comp Chem: published online. Feng2.pdf
32.Bourne, G. T., Kuster, D. J., and Marshall, G. R. (2010) Bipyridal-Based α-Helical Mimetics, Chemistry Eur J, 16(28):8439-8445. Bourne.pdf
33.Van Eps, N., Anderson, L. L., Kisselev, O. G., Baranski, T. J., Hubbell, W. L., and Marshall, G. R.(2010) EPR Studies of Functionally Active, Nitroxide Spin-Labeled Analogs of the C-Terminus of a G-Protein Alpha Subunit, Biochemistry, published online. Van Eps.pdf