Garland R. Marshall, Ph.D. - Publications

1966- Biochemistry and Molecular Biophysics Washington University, Saint Louis, St. Louis, MO 
 1979-1987 Tripos, Inc. 
 1995-2006 Metaphore Pharaceuticals 
Biochemistry, Biophysics, Medicinal Chemistry

127 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2018 Reddy DN, Singh S, Ho CMW, Patel J, Schlesinger P, Rodgers S, Doctor A, Marshall GR. Design, synthesis, and biological evaluation of stable β-Helices: Discovery of non-hemolytic antibacterial peptides. European Journal of Medicinal Chemistry. 149: 193-210. PMID 29501941 DOI: 10.1016/j.ejmech.2018.02.057  0.4
2017 Marshall GR, Ballante F. Limiting Assumptions in the Design of Peptidomimetics. Drug Development Research. PMID 28875546 DOI: 10.1002/ddr.21406  1
2016 Reddy DR, Ballante F, Zhou NJ, Marshall GR. Design and synthesis of benzodiazepine analogs as isoform-selective human lysine deacetylase inhibitors. European Journal of Medicinal Chemistry. 127: 531-553. PMID 28109947 DOI: 10.1016/j.ejmech.2016.12.032  1
2015 Ballante F, Marshall GR. An Automated Strategy for Binding-Pose Selection and Docking Assessment in Structure-Based Drug Design. Journal of Chemical Information and Modeling. PMID 26682916 DOI: 10.1021/acs.jcim.5b00603  1
2015 Nandarapu DR, Ballante F, Chuang T, Pirolli A, Marrocco B, Marshall GR. Design and Synthesis of Simplified Largazole Analogs as Isoform-Selective Human Lysine Deacetylase Inhibitors. Journal of Medicinal Chemistry. PMID 26681404 DOI: 10.1021/acs.jmedchem.5b01632  1
2015 Wang Q, Rosa BA, Nare B, Powell K, Valente S, Rotili D, Mai A, Marshall GR, Mitreva M. Targeting Lysine Deacetylases (KDACs) in Parasites. Plos Neglected Tropical Diseases. 9: e0004026. PMID 26402733 DOI: 10.1371/journal.pntd.0004026  1
2015 Kuster DJ, Liu C, Fang Z, Ponder JW, Marshall GR. High-resolution crystal structures of protein helices reconciled with three-centered hydrogen bonds and multipole electrostatics. Plos One. 10: e0123146. PMID 25894612 DOI: 10.1371/journal.pone.0123146  1
2014 Liu C, Ponder JW, Marshall GR. Helix stability of oligoglycine, oligoalanine, and oligo-β-alanine dodecamers reflected by hydrogen-bond persistence. Proteins. 82: 3043-61. PMID 25116421 DOI: 10.1002/prot.24665  1
2013 Marshall GR. Limiting assumptions in molecular modeling: electrostatics. Journal of Computer-Aided Molecular Design. 27: 107-14. PMID 23354627 DOI: 10.1007/s10822-013-9634-x  1
2012 Zheng X, Wu C, Ponder JW, Marshall GR. Molecular dynamics of β-hairpin models of epigenetic recognition motifs. Journal of the American Chemical Society. 134: 15970-8. PMID 22934656 DOI: 10.1021/ja306803v  1
2012 Ballante F, Musmuca I, Marshall GR, Ragno R. Comprehensive model of wild-type and mutant HIV-1 reverse transciptases. Journal of Computer-Aided Molecular Design. 26: 907-19. PMID 22833004 DOI: 10.1007/s10822-012-9586-6  1
2012 Silvestri L, Ballante F, Mai A, Marshall GR, Ragno R. Histone deacetylase inhibitors: structure-based modeling and isoform-selectivity prediction. Journal of Chemical Information and Modeling. 52: 2215-35. PMID 22762501 DOI: 10.1021/ci300160y  1
2012 Tang YT, Gao R, Havranek JJ, Groisman EA, Stock AM, Marshall GR. Inhibition of bacterial virulence: drug-like molecules targeting the Salmonella enterica PhoP response regulator. Chemical Biology & Drug Design. 79: 1007-17. PMID 22339993 DOI: 10.1111/j.1747-0285.2012.01362.x  1
2012 Marshall GR. Limiting assumptions in structure-based design: binding entropy. Journal of Computer-Aided Molecular Design. 26: 3-8. PMID 22212342 DOI: 10.1007/s10822-011-9494-1  1
2011 Nikiforovich GV, Taylor CM, Marshall GR, Baranski TJ. Difference between restoring and predicting 3D structures of the loops in G-protein-coupled receptors by molecular modeling. Proceedings of the National Academy of Sciences of the United States of America. 108: E341; author reply E. PMID 21724986 DOI: 10.1073/pnas.1107702108  1
2011 Wildman SA, Zheng X, Sept D, Auletta JT, Rosenberry TL, Marshall GR. Drug-like leads for steric discrimination between substrate and inhibitors of human acetylcholinesterase. Chemical Biology & Drug Design. 78: 495-504. PMID 21668653 DOI: 10.1111/j.1747-0285.2011.01157.x  1
2011 Tang YT, Marshall GR. Virtual screening for lead discovery. Methods in Molecular Biology (Clifton, N.J.). 716: 1-22. PMID 21318897 DOI: 10.1007/978-1-61779-012-6_1  0.84
2011 Nikiforovich GV, Marshall GR, Baranski TJ. Simplified modeling approach suggests structural mechanisms for constitutive activation of the C5a receptor. Proteins. 79: 787-802. PMID 21287612 DOI: 10.1002/prot.22918  1
2011 Tang YT, Marshall GR. PHOENIX: a scoring function for affinity prediction derived using high-resolution crystal structures and calorimetry measurements. Journal of Chemical Information and Modeling. 51: 214-28. PMID 21214225 DOI: 10.1021/ci100257s  1
2011 Marshall GR. Solid-Phase Peptide Synthesis: Historical Aspects Amino Acids, Peptides and Proteins in Organic Chemistry. 3: 253-272. DOI: 10.1002/9783527631803.ch7  1
2010 Feng JA, Marshall GR. SKATE: a docking program that decouples systematic sampling from scoring. Journal of Computational Chemistry. 31: 2540-54. PMID 20740553 DOI: 10.1002/jcc.21545  1
2010 Van Eps N, Anderson LL, Kisselev OG, Baranski TJ, Hubbell WL, Marshall GR. Electron paramagnetic resonance studies of functionally active, nitroxide spin-labeled peptide analogues of the C-terminus of a G-protein alpha subunit. Biochemistry. 49: 6877-86. PMID 20695526 DOI: 10.1021/bi100846c  1
2010 Taylor CM, Rockweiler NB, Liu C, Rikimaru L, Tunemalm AK, Kisselev OG, Marshall GR. Using ligand-based virtual screening to allosterically stabilize the activated state of a GPCR. Chemical Biology & Drug Design. 75: 325-32. PMID 20659113 DOI: 10.1111/j.1747-0285.2009.00944.x  1
2010 Bourne GT, Kuster DJ, Marshall GR. Synthesis of the phenylpyridal scaffold as a helical peptide mimetic. Chemistry (Weinheim An Der Bergstrasse, Germany). 16: 8439-45. PMID 20564292 DOI: 10.1002/chem.201000315  1
2010 Yang RY, Yang KS, Pike LJ, Marshall GR. Targeting the dimerization of epidermal growth factor receptors with small-molecule inhibitors. Chemical Biology & Drug Design. 76: 1-9. PMID 20456371 DOI: 10.1111/j.1747-0285.2010.00986.x  1
2010 Nikiforovich GV, Taylor CM, Marshall GR, Baranski TJ. Modeling the possible conformations of the extracellular loops in G-protein-coupled receptors. Proteins. 78: 271-85. PMID 19731375 DOI: 10.1002/prot.22537  1
2009 Feng JA, Kao J, Marshall GR. A second look at mini-protein stability: analysis of FSD-1 using circular dichroism, differential scanning calorimetry, and simulations. Biophysical Journal. 97: 2803-10. PMID 19917235 DOI: 10.1016/j.bpj.2009.08.046  1
2009 Marshall GR, Kuster DJ, Che Y. Chemogenomics with protein secondary-structure mimetics. Methods in Molecular Biology (Clifton, N.J.). 575: 123-58. PMID 19727613 DOI: 10.1007/978-1-60761-274-2_5  1
2009 Oprea TI, Bologa CG, Boyer S, Curpan RF, Glen RC, Hopkins AL, Lipinski CA, Marshall GR, Martin YC, Ostopovici-Halip L, Rishton G, Ursu O, Vaz RJ, Waller C, Waldmann H, et al. A crowdsourcing evaluation of the NIH chemical probes. Nature Chemical Biology. 5: 441-7. PMID 19536101 DOI: 10.1038/nchembio0709-441  1
2009 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. Journal of Computer-Aided Molecular Design. 23: 87-95. PMID 18797997 DOI: 10.1007/s10822-008-9241-4  1
2009 Nikiforovich GV, Marshall GR. Computational Approaches in Peptide and Protein Design: An Overview Peptide and Protein Design For Biopharmaceutical Applications. 5-48. DOI: 10.1002/9780470749708.ch2  1
2008 Taylor CM, Barda Y, Kisselev OG, Marshall GR. Modulating G-protein coupled receptor/G-protein signal transduction by small molecules suggested by virtual screening. Journal of Medicinal Chemistry. 51: 5297-303. PMID 18707087 DOI: 10.1021/jm800326q  1
2008 Nikiforovich GV, Marshall GR, Baranski TJ. Modeling molecular mechanisms of binding of the anaphylatoxin C5a to the C5a receptor. Biochemistry. 47: 3117-30. PMID 18275159 DOI: 10.1021/bi702321a  1
2008 Cegelski L, Marshall GR, Eldridge GR, Hultgren SJ. The biology and future prospects of antivirulence therapies. Nature Reviews. Microbiology. 6: 17-27. PMID 18079741 DOI: 10.1038/nrmicro1818  1
2008 Che Y, Marshall GR. Privileged scaffolds targeting reverse-turn and helix recognition. Expert Opinion On Therapeutic Targets. 12: 101-14. PMID 18076374 DOI: 10.1517/14728222.12.1.101  1
2008 Marshall GR. The early years--across the bench from Bruce (1963-1966). Biopolymers. 90: 190-9. PMID 17941005 DOI: 10.1002/bip.20870  1
2008 Arbor S, Kao J, Wu Y, Marshall GR. c[D-pro-Pro-D-pro-N-methyl-Ala] adopts a rigid conformation that serves as a scaffold to mimic reverse-turns. Biopolymers. 90: 384-93. PMID 17941003 DOI: 10.1002/bip.20869  1
2008 Ye Y, Liu M, Kao JL, Marshall GR. Design, synthesis, and metal binding of novel Pseudo- oligopeptides containing two phosphinic acid groups. Biopolymers. 89: 72-85. PMID 17910046 DOI: 10.1002/bip.20855  1
2008 Marshall GR, Feng JA, Kuster DJ. Back to the future: ribonuclease A. Biopolymers. 90: 259-77. PMID 17868092 DOI: 10.1002/bip.20845  1
2007 Schweitzer-Stenner R, Gonzales W, Bourne GT, Feng JA, Marshall GR. 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. Journal of the American Chemical Society. 129: 13095-109. PMID 17918837 DOI: 10.1021/ja0738430  1
2007 Zhang X, Nikiforovich GV, Marshall GR. Conformational templates for rational drug design: flexibility of cyclo(D-Pro1-Ala2-Ala3-Ala4-Ala5) in DMSO solution. Journal of Medicinal Chemistry. 50: 2921-5. PMID 17497764 DOI: 10.1021/jm070084n  1
2007 Che Y, Brooks BR, Marshall GR. Protein recognition motifs: design of peptidomimetics of helix surfaces. Biopolymers. 86: 288-97. PMID 17443711 DOI: 10.1002/bip.20744  1
2007 Nikiforovich GV, Marshall GR, Achilefu S. Molecular modeling suggests conformational scaffolds specifically targeting five subtypes of somatostatin receptors. Chemical Biology & Drug Design. 69: 163-9. PMID 17441902 DOI: 10.1111/j.1747-0285.2007.00493.x  1
2007 Nikiforovich GV, Taylor CM, Marshall GR. Modeling of the complex between transducin and photoactivated rhodopsin, a prototypical G-protein-coupled receptor. Biochemistry. 46: 4734-44. PMID 17397191 DOI: 10.1021/bi700185p  1
2007 Che Y, Brooks BR, Riley DP, Reaka AJ, Marshall GR. Engineering metal complexes of chiral pentaazacrowns as privileged reverse-turn scaffolds. Chemical Biology & Drug Design. 69: 99-110. PMID 17381723 DOI: 10.1111/j.1747-0285.2007.00484.x  1
2007 Taylor CM, Nikiforovich GV, Marshall GR. Defining the interface between the C-terminal fragment of alpha-transducin and photoactivated rhodopsin. Biophysical Journal. 92: 4325-34. PMID 17351008 DOI: 10.1529/biophysj.106.099242  1
2007 Feng JA, Tessler LA, Marshall GR. Chimeric protein engineering International Journal of Peptide Research and Therapeutics. 13: 151-160. DOI: 10.1007/s10989-006-9058-8  1
2006 Anderson MA, Ogbay B, Kisselev OG, Cistola DP, Marshall GR. Alternate binding mode of C-terminal phenethylamine analogs of G(t)alpha(340-350) to photoactivated rhodopsin. Chemical Biology & Drug Design. 68: 295-307. PMID 17177891 DOI: 10.1111/j.1747-0285.2006.00460.x  1
2006 Nikiforovich GV, Zhang M, Yang Q, Jagadeesh G, Chen HC, Hunyady L, Marshall GR, Catt KJ. Interactions between conserved residues in transmembrane helices 2 and 7 during angiotensin AT1 receptor activation. Chemical Biology & Drug Design. 68: 239-49. PMID 17177883 DOI: 10.1111/j.1747-0285.2006.00444.x  1
2006 Downs MA, Arimoto R, Marshall GR, Kisselev OG. G-protein alpha and beta-gamma subunits interact with conformationally distinct signaling states of rhodopsin. Vision Research. 46: 4442-8. PMID 16989885 DOI: 10.1016/j.visres.2006.07.021  1
2006 Hata M, Marshall GR. Do benzodiazepines mimic reverse-turn structures? Journal of Computer-Aided Molecular Design. 20: 321-31. PMID 16972167 DOI: 10.1007/s10822-006-9059-x  1
2006 Våbenø J, Nikiforovich GV, Marshall GR. Insight into the binding mode for cyclopentapeptide antagonists of the CXCR4 receptor. Chemical Biology & Drug Design. 67: 346-54. PMID 16784459 DOI: 10.1111/j.1747-0285.2006.00387.x  1
2006 Anderson MA, Ogbay B, Arimoto R, Sha W, Kisselev OG, Cistola DP, Marshall GR. Relative strength of cation-pi vs salt-bridge interactions: the Gtalpha(340-350) peptide/rhodopsin system. Journal of the American Chemical Society. 128: 7531-41. PMID 16756308 DOI: 10.1021/ja058513z  1
2006 Ye Y, Liu M, Kao JL, Marshall GR. Novel trihydroxamate-containing peptides: design, synthesis, and metal coordination. Biopolymers. 84: 472-89. PMID 16705688 DOI: 10.1002/bip.20532  1
2006 Nikiforovich GV, Marshall GR. 3D modeling of the activated states of constitutively active mutants of rhodopsin. Biochemical and Biophysical Research Communications. 345: 430-7. PMID 16682009 DOI: 10.1016/j.bbrc.2006.04.058  1
2006 Che Y, Brooks BR, Marshall GR. Development of small molecules designed to modulate protein-protein interactions. Journal of Computer-Aided Molecular Design. 20: 109-30. PMID 16622794 DOI: 10.1007/s10822-006-9040-8  1
2006 Våbenø J, Nikiforovich GV, Marshall GR. A minimalistic 3D pharmacophore model for cyclopentapeptide CXCR4 antagonists. Biopolymers. 84: 459-71. PMID 16552740 DOI: 10.1002/bip.20508  1
2006 Che Y, Marshall GR. Engineering cyclic tetrapeptides containing chimeric amino acids as preferred reverse-turn scaffolds. Journal of Medicinal Chemistry. 49: 111-24. PMID 16392797 DOI: 10.1021/jm0507072  1
2006 Che Y, Marshall GR. Impact of cis-proline analogs on peptide conformation. Biopolymers. 81: 392-406. PMID 16358327 DOI: 10.1002/bip.20431  1
2006 Marshall GR, Taylor CM. Introduction to computer-assisted drug design - overview and perspective for the future Comprehensive Medicinal Chemistry Ii. 4: 13-41.  1
2005 Kuster DJ, Marshall GR. Validated ligand mapping of ACE active site. Journal of Computer-Aided Molecular Design. 19: 609-15. PMID 16307311 DOI: 10.1007/s10822-005-9017-z  1
2005 Anderson LL, Marshall GR, Baranski TJ. Expressed protein ligation to study protein interactions: semi-synthesis of the G-protein alpha subunit. Protein and Peptide Letters. 12: 783-7. PMID 16305549 DOI: 10.2174/0929866054864175  1
2005 Nikiforovich GV, Mihalik B, Catt KJ, Marshall GR. Molecular mechanisms of constitutive activity: mutations at position 111 of the angiotensin AT1 receptor. The Journal of Peptide Research : Official Journal of the American Peptide Society. 66: 236-48. PMID 16218991 DOI: 10.1111/j.1399-3011.2005.00293.x  1
2005 Nikiforovich GV, Marshall GR. Modeling flexible loops in the dark-adapted and activated states of rhodopsin, a prototypical G-protein-coupled receptor. Biophysical Journal. 89: 3780-9. PMID 16199504 DOI: 10.1529/biophysj.105.070722  1
2005 Anderson LL, Marshall GR, Crocker E, Smith SO, Baranski TJ. Motion of carboxyl terminus of Galpha is restricted upon G protein activation. A solution NMR study using semisynthetic Galpha subunits. The Journal of Biological Chemistry. 280: 31019-26. PMID 15983037 DOI: 10.1074/jbc.M503690200  1
2004 Che Y, Marshall GR. Impact of azaproline on Peptide conformation. The Journal of Organic Chemistry. 69: 9030-42. PMID 15609935 DOI: 10.1021/jo0487303  1
2004 Poreddy AR, Schall OF, Osiek TA, Wheatley JR, Beusen DD, Marshall GR, Slomczynska U. Hydroxamate-based iron chelators: combinatorial syntheses of desferrioxamine B analogues and evaluation of binding affinities. Journal of Combinatorial Chemistry. 6: 239-54. PMID 15002973 DOI: 10.1021/cc030039a  1
2004 Berglund A, Head RD, Welsh EA, Marshall GR. ProVal: a protein-scoring function for the selection of native and near-native folds. Proteins. 54: 289-302. PMID 14696191 DOI: 10.1002/prot.10523  1
2003 Marshall GR. Solid-phase synthesis: a paradigm shift. Journal of Peptide Science : An Official Publication of the European Peptide Society. 9: 534-44. PMID 14552416 DOI: 10.1002/psc.478  1
2003 Ye Y, Liu M, Kao JL, Marshall GR. Peptide-bond modification for metal coordination: peptides containing two hydroxamate groups. Biopolymers. 71: 489-515. PMID 14517900 DOI: 10.1002/bip.10471  1
2003 Nikiforovich GV, Marshall GR. Three-dimensional model for meta-II rhodopsin, an activated G-protein-coupled receptor. Biochemistry. 42: 9110-20. PMID 12885244 DOI: 10.1021/bi034586o  1
2003 Poreddy AR, Schall OF, Marshall GR, Ratledge C, Slomczynska U. Solid-phase synthesis of methyl carboxymycobactin T 7 and analogues as potential antimycobacterial agents. Bioorganic & Medicinal Chemistry Letters. 13: 2553-6. PMID 12852964 DOI: 10.1016/S0960-894X(03)00473-6  1
2003 Zhang WJ, Berglund A, Kao JL, Couty JP, Gershengorn MC, Marshall GR. Impact of azaproline on amide cis-trans isomerism: conformational analyses and NMR studies of model peptides including TRH analogues. Journal of the American Chemical Society. 125: 1221-35. PMID 12553824 DOI: 10.1021/ja020994o  1
2002 Reaka AJ, Ho CM, Marshall GR. Metal complexes of chiral pentaazacrowns as conformational templates for beta-turn recognition. Journal of Computer-Aided Molecular Design. 16: 585-600. PMID 12602952 DOI: 10.1023/A:1021980019452  1
2002 Di Santo R, Costi R, Artico M, Massa S, Ragno R, Marshall GR, La Colla P. Design, synthesis and QSAR studies on N-aryl heteroarylisopropanolamines, a new class of non-peptidic HIV-1 protease inhibitors. Bioorganic & Medicinal Chemistry. 10: 2511-26. PMID 12057640 DOI: 10.1016/S0968-0896(02)00119-0  1
2002 Simpson JC, Ho C, Shands EF, Gershengorn MC, Marshall GR, Moeller KD. Conformationally restricted TRH analogues: constraining the pyroglutamate region. Bioorganic & Medicinal Chemistry. 10: 291-302. PMID 11741778 DOI: 10.1016/S0968-0896(01)00287-5  1
2001 Marshall GR. Peptide interactions with G-protein coupled receptors. Biopolymers. 60: 246-77. PMID 11774230 DOI: 10.1002/1097-0282(2001)60:3<246::AID-BIP10044>3.0.CO;2-V  1
2001 Arimoto R, Kisselev OG, Makara GM, Marshall GR. Rhodopsin-transducin interface: studies with conformationally constrained peptides. Biophysical Journal. 81: 3285-93. PMID 11720992 DOI: 10.1016/S0006-3495(01)75962-0  1
2001 Bourne GT, Golding SW, McGeary RP, Meutermans WD, Jones A, Marshall GR, Alewood PF, Smythe ML. The development and application of a novel safety-catch linker for BOC-based assembly of libraries of cyclic peptides. The Journal of Organic Chemistry. 66: 7706-13. PMID 11701025 DOI: 10.1021/jo010580y  1
2001 Nikiforovich GV, Marshall GR. 3D model for TM region of the AT-1 receptor in complex with angiotensin II independently validated by site-directed mutagenesis data. Biochemical and Biophysical Research Communications. 286: 1204-11. PMID 11527428 DOI: 10.1006/bbrc.2001.5526  1
2001 Galaktionov S, Nikiforovich GV, Marshall GR. Ab initio modeling of small, medium, and large loops in proteins. Biopolymers. 60: 153-68. PMID 11455548 DOI: 10.1002/1097-0282(2001)60:2<153::AID-BIP1010>3.0.CO;2-6  1
2001 Nikiforovich GV, Marshall GR. Editorial: current developments in computational studies of peptides. Biopolymers. 60: 77-8. PMID 11455543 DOI: 10.1002/1097-0282(2001)60:2<77::AID-BIP1005>3.0.CO;2-Q  1
2001 Nikiforovich GV, Galaktionov S, Balodis J, Marshall GR. Novel approach to computer modeling of seven-helical transmembrane proteins: current progress in the test case of bacteriorhodopsin. Acta Biochimica Polonica. 48: 53-64. PMID 11440183  1
2001 Sun M, Che Y, Miao F, Marshall GR. Conformational analysis on anti-HIV-1 peptide T22 ([Tyr5,12,Lys7]-polyphemusin II) Chinese Science Bulletin. 46: 1685-1688.  1
2000 Slomczynska U, Amruta Reddy P, Schall O, Rosik L, Wheatley JR, Marshall GR. Hydroxamate analog libraries and evaluation of their iron affinity. Transfusion Science. 23: 265-6. PMID 11099912 DOI: 10.1016/S0955-3886(00)00104-1  1
2000 Ragno R, Marshall GR, Di Santo R, Costi R, Massa S, Rompei R, Artico M. Antimycobacterial pyrroles: synthesis, anti-Mycobacterium tuberculosis activity and QSAR studies. Bioorganic & Medicinal Chemistry. 8: 1423-32. PMID 10896119 DOI: 10.1016/S0968-0896(00)00061-4  1
2000 Emtenäs H, Soto G, Hultgren SJ, Marshall GR, Almqvist F. Stereoselective synthesis of optically active beta-lactams, potential inhibitors of pilus assembly in pathogenic bacteria. Organic Letters. 2: 2065-7. PMID 10891231  1
2000 Kent S, Marshall GR, Wlodawer A. Determining the 3D structure of HIV-1 protease. Science (New York, N.Y.). 288: 1590. PMID 10858137  1
2000 Nikiforovich GV, Kbvér KE, Zhang WJ, Marshall GR. Cyclopentapeptides as flexible conformational templates Journal of the American Chemical Society. 122: 3262-3273. DOI: 10.1021/ja991728m  1
2000 Tong Y, Olczak J, Zabrocki J, Gershengorn MC, Marshall GR, Moeller KD. Constrained peptidomimetics for TRH: cis-peptide bond analogs Tetrahedron. 56: 9791-9800.  1
1999 Duclohier H, Kociolek K, Stasiak M, Leplawy MT, Marshall GR. C-terminally shortened alamethicin on templates: influence of the linkers on conductances. Biochimica Et Biophysica Acta. 1420: 14-22. PMID 10446286 DOI: 10.1016/S0005-2736(99)00047-4  1
1999 Pappu RV, Marshall GR, Ponder JW. A potential smoothing algorithm accurately predicts transmembrane helix packing. Nature Structural Biology. 6: 50-5. PMID 9886292 DOI: 10.1038/4922  1
1999 Marshall GR, Ragno R, Makara GM, Arimoto R, Kisselev O. Bound conformations for ligands for G-protein coupled receptors Letters in Peptide Science. 6: 283-288.  1
1998 Takeuchi Y, Shands EF, Beusen DD, Marshall GR. Derivation of a three-dimensional pharmacophore model of substance P antagonists bound to the neurokinin-1 receptor. Journal of Medicinal Chemistry. 41: 3609-23. PMID 9733486 DOI: 10.1021/jm9700171  1
1998 Kisselev OG, Kao J, Ponder JW, Fann YC, Gautam N, Marshall GR. Light-activated rhodopsin induces structural binding motif in G protein alpha subunit. Proceedings of the National Academy of Sciences of the United States of America. 95: 4270-5. PMID 9539726 DOI: 10.1073/pnas.95.8.4270  1
1998 Takeuchi Y, Marshall GR. Conformational analysis of reverse-turn constraints by N-methylation and N-hydroxylation of amide bonds in peptides and non-peptide mimetics Journal of the American Chemical Society. 120: 5363-5372. DOI: 10.1021/ja970855k  1
1998 Almqvist F, Guillaume D, Hultgren SJ, Marshall GR. Efficient regioselective synthesis of enantiomerically pure 4- hydroxymethyl-Δ2-thiazoline Tetrahedron Letters. 39: 2293-2294. DOI: 10.1016/S0040-4039(98)00347-5  1
1998 Nikiforovich GV, Galaktionov S, Tseitin VM, Lowis DR, Shenderovich MD, Marshall GR. 3D modeling for TM receptors: Algorithms and validations Letters in Peptide Science. 5: 413-415.  1
1998 Oprea TI, Marshall GR. Receptor-Based Prediction of Binding Affinities Perspectives in Drug Discovery and Design. 9: 35-61.  1
1998 Guillaume D, Marshall GR. Efficient one-pot synthesis of JM3100 Synthetic Communications. 28: 2903-2906.  1
1997 Marshall GR. Therapeutic approaches to human immunodeficiency virus: structural studies on G-protein-coupled receptors. Pharmacology & Therapeutics. 76: 135-9. PMID 9535175 DOI: 10.1016/S0163-7258(97)00109-5  1
1997 Makara GM, Marshall GR. A facile synthesis of 3-substituted pipecolic acids, chimeric amino acids Tetrahedron Letters. 38: 5069-5072. DOI: 10.1016/S0040-4039(97)01128-3  1
1997 Kisselev O, Ponder J, Farm Y, Kao J, Gautam N, Marshall GR. Structure of the rhodopsin-bound c-terminal peptide of the transducin alpha-subunit and implications Faseb Journal. 11: A1164.  1
1996 Kolodziej SA, Marshall GR. Stereoselective syntheses of 3-mercaptoproline derivatives protected for solid phase peptide synthesis. International Journal of Peptide and Protein Research. 48: 274-80. PMID 8897095  1
1996 Zhang WJ, Nikiforovich GV, Pérodin J, Richard DE, Escher E, Marshall GR. Novel cyclic analogs of angiotensin II with cyclization between positions 5 and 7: conformational and biological implications. Journal of Medicinal Chemistry. 39: 2738-44. PMID 8709104 DOI: 10.1021/jm9507744  1
1996 Rutledge LD, Perlman JH, Gershengorn MC, Marshall GR, Moeller KD. Conformationally restricted TRH analogs: a probe for the pyroglutamate region. Journal of Medicinal Chemistry. 39: 1571-4. PMID 8648595 DOI: 10.1021/jm960053k  1
1996 Slomezynska U, Chalmers DK, Cornille F, Smythe ML, Beusen DD, Moeller KD, Marshall GR. Electrochemical cyclization of dipeptides to form novel bicyclic, reverse-turn peptidomimetics. 2. Synthesis and conformational analysis of 6,5-bicyclic systems Journal of Organic Chemistry. 61: 1198-1204. DOI: 10.1021/jo950898o  1
1996 Head RD, Smythe ML, Oprea TI, Waller CL, Green SM, Marshall GR. VALIDATE: A new method for the receptor-based prediction of binding affinities of novel ligands Journal of the American Chemical Society. 118: 3959-3969. DOI: 10.1021/ja9539002  1
1996 Klimov GP, Marshall GR. Measure of similarity of amino acids or how to obtain the genetic code table from 'nothing' Computers and Mathematics With Applications. 31: 13-21. DOI: 10.1016/0898-1221(96)00026-0  1
1996 Nikiforovich GV, Kövér KE, Kolodziej SA, Nock B, George C, Deschamps JR, Flippen-Anderson JL, Marshall GR. Design and comprehensive conformational studies of Tyr1-cyclo(D-Pen2-Gly3-Phe 4-L-3-Mpt5) and Tyr1-cyclo(D-Pen2-Gly3-Phe 4-D-3-Mpt5): Novel conformationally constrained opioid peptides Journal of the American Chemical Society. 118: 959-969.  1
1996 Beusen DD, Shands EFB, Karasek SF, Marshall GR, Dammkoehler RA. Systematic search in conformational analysis Journal of Molecular Structure: Theochem. 370: 157-171.  1
1995 Dammkoehler RA, Karasek SF, Shands EF, Marshall GR. Sampling conformational hyperspace: techniques for improving completeness. Journal of Computer-Aided Molecular Design. 9: 491-9. PMID 8789191 DOI: 10.1007/BF00124320  1
1995 Howell PL, Pangborn WA, Marshall GR, Zabrocki J, Smith GD. A thyrotropin-releasing hormone analogue: pGlu-Phe-D-Pro-psi [CN4]-NMe at 293 and 107 K. Acta Crystallographica. Section C, Crystal Structure Communications. 51: 2575-9. PMID 8588858  1
1995 Kolodziej SA, Nikiforovich GV, Skeean R, Lignon MF, Martinez J, Marshall GR. Ac-[3- and 4-alkylthioproline31]-CCK4 analogs: Synthesis and implications for the CCK-B receptor-bound conformation Journal of Medicinal Chemistry. 38: 137-149. PMID 7837225  1
1995 Ho CMW, Marshall GR. DBMAKER: A set of programs to generate three-dimensional databases based upon user-specified criteria Journal of Computer-Aided Molecular Design. 9: 65-86. PMID 7751871 DOI: 10.1007/BF00117279  1
1995 Nikiforovich GV, Kolodziej SA, Nock B, Bernad N, Martinez J, Marshall GR. Conformationally readdressed CCK-B/δ-opioid peptide ligands Biopolymers. 36: 439-452. PMID 7578939 DOI: 10.1002/bip.360360407  1
1995 Beusen DD, Zabrocki J, Slomczynska U, Head RD, Kao JLF, Marshall GR. Conformational mimicry: Synthesis and solution conformation of a cyclic somatostatin hexapeptide containing a tetrazole cis amide bond surrogate Biopolymers. 36: 181-200. PMID 7492745 DOI: 10.1002/bip.360360207  1
1995 Green SM, Marshall GR. 3D-QSAR: a current perspective Trends in Pharmacological Sciences. 16: 285-291. PMID 7482991 DOI: 10.1016/S0165-6147(00)89052-5  1
1995 Luker KE, Tyler AN, Marshall GR, Goldman WE. Tracheal cytotoxin structural requirements for respiratory epithelial damage in pertussis. Molecular Microbiology. 16: 733-43. PMID 7476167 DOI: 10.1111/j.1365-2958.1995.tb02434.x  1
1995 Cornille F, Slomczynska U, Smythe ML, Beusen DD, Moeller KD, Marshall GR. Electrochemical cyclization of dipeptides toward novel bicyclic, reverse-turn peptidomimetics. 1. Synthesis and conformational analysis of 7,5-bicyclic systems Journal of the American Chemical Society. 117: 909-917. DOI: 10.1021/ja00108a007  1
1995 Sapia AC, Slomczynska U, Marshall GR. Evaluation of two new coupling agents for incorporation of α,α-dialkylamino acids, such as α-methylalanine, in solid-phase peptide synthesis Letters in Peptide Science. 1: 283-290. DOI: 10.1007/BF00119769  1
1995 Smythe ML, Nakaie CR, Marshall GR. α-helical versus 310-helical conformation of alanine-based peptides in aqueous solution: An electron spin resonance investigation Journal of the American Chemical Society. 117: 10555-10562.  1
1995 Chalmers DK, Marshall GR. Pro-D-NMe-amino acid and D-Pro-NMe-amino acid: Simple, efficient reverse-turn constraints Journal of the American Chemical Society. 117: 5927-5937.  1
1995 Smythe ML, Huston SE, Marshall GR. The molten helix: Effects of solvation on the α- to 310-helical transition Journal of the American Chemical Society. 117: 5445-5452.  1
1994 Oprea TI, Waller CL, Marshall GR. Three-dimensional quantitative structure-activity relationship of human immunodeficiency virus (I) protease inhibitors. 2. Predictive power using limited exploration of alternate binding modes Journal of Medicinal Chemistry. 37: 2206-2215. PMID 8035428 DOI: 10.1021/jm00040a013  1
1994 Marinier A, Toth MV, Houseman K, Mueller R, Marshall GR. HIV-1 protease inhibitors: Ketomethylene isosteres with unusually high affinity compared with hydroxyethylene isostere analogs Bioorganic and Medicinal Chemistry. 2: 919-925. PMID 7712127 DOI: 10.1016/S0968-0896(00)82041-6  1
1994 Cornille F, Fobian YM, Slomczynska U, Beusen DD, Marshall GR, Moeller KD. Anodic amide oxidations: Conformationally restricted peptide building blocks from the direct oxidation of dipeptides Tetrahedron Letters. 35: 6989-6992. DOI: 10.1016/0040-4039(94)88206-1  1
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