| Year |
Citation |
Score |
| 2021 |
Nencetti S, Cuffaro D, Nuti E, Ciccone L, Rossello A, Fabbi M, Ballante F, Ortore G, Carbotti G, Campelli F, Banti I, Gangemi R, Marshall GR, Orlandini E. Identification of histone deacetylase inhibitors with (arylidene)aminoxy scaffold active in uveal melanoma cell lines. Journal of Enzyme Inhibition and Medicinal Chemistry. 36: 34-47. PMID 33100043 DOI: 10.1080/14756366.2020.1835883 |
0.711 |
|
| 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 |
0.48 |
|
| 2018 |
Lobysheva E, Taylor CM, Marshall GR, Kisselev OG. Tauroursodeoxycholic acid binds to the G-protein site on light activated rhodopsin. Experimental Eye Research. PMID 29454859 DOI: 10.1016/J.Exer.2018.02.015 |
0.768 |
|
| 2017 |
Marshall GR, Ballante F. Limiting Assumptions in the Design of Peptidomimetics. Drug Development Research. PMID 28875546 DOI: 10.1002/Ddr.21406 |
0.75 |
|
| 2017 |
Ballante F, Reddy DR, Zhou NJ, Marshall GR. Structural insights of SmKDAC8 inhibitors: Targeting Schistosoma epigenetics through a combined structure-based 3D QSAR, in vitro and synthesis strategy. Bioorganic & Medicinal Chemistry. PMID 28259528 DOI: 10.1016/J.Bmc.2017.02.020 |
0.766 |
|
| 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 |
0.756 |
|
| 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 |
0.747 |
|
| 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 |
0.778 |
|
| 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 |
0.308 |
|
| 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 |
0.781 |
|
| 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 |
0.332 |
|
| 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 |
0.335 |
|
| 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 |
0.761 |
|
| 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 |
0.794 |
|
| 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 |
0.588 |
|
| 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 |
0.334 |
|
| 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 |
0.744 |
|
| 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 |
0.32 |
|
| 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 |
0.624 |
|
| 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 |
0.371 |
|
| 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 |
0.651 |
|
| 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 |
0.616 |
|
| 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 |
0.596 |
|
| 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 |
0.762 |
|
| 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 |
0.78 |
|
| 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 |
0.559 |
|
| 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 |
0.765 |
|
| 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 |
0.659 |
|
| 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 |
0.795 |
|
| 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 |
0.787 |
|
| 2009 |
NIKIFOROVICH GV, MARSHALL GR. Conformation-function relationships in LHRH analogs International Journal of Peptide and Protein Research. 42: 181-193. DOI: 10.1111/J.1399-3011.1993.Tb00495.X |
0.381 |
|
| 2009 |
Kuster DJ, Urahata S, Ponder JW, Marshall GR. From Data or Dogma? The Myth of the Ideal Helix Biophysical Journal. 96: 5a. DOI: 10.1016/J.Bpj.2008.12.918 |
0.784 |
|
| 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 |
0.752 |
|
| 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 |
0.331 |
|
| 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 |
0.594 |
|
| 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 |
0.786 |
|
| 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 |
0.305 |
|
| 2008 |
Marshall GR, Feng JA, Kuster DJ. Back to the future: ribonuclease A. Biopolymers. 90: 259-77. PMID 17868092 DOI: 10.1002/Bip.20845 |
0.777 |
|
| 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 |
0.663 |
|
| 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 |
0.329 |
|
| 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 |
0.542 |
|
| 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 |
0.404 |
|
| 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 |
0.766 |
|
| 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 |
0.562 |
|
| 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 |
0.747 |
|
| 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 |
0.663 |
|
| 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 |
0.372 |
|
| 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 |
0.33 |
|
| 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 |
0.605 |
|
| 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 |
0.327 |
|
| 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 |
0.356 |
|
| 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 |
0.64 |
|
| 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 |
0.3 |
|
| 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 |
0.559 |
|
| 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 |
0.401 |
|
| 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 |
0.596 |
|
| 2006 |
Che Y, Marshall GR. Impact of cis-proline analogs on peptide conformation. Biopolymers. 81: 392-406. PMID 16358327 DOI: 10.1002/Bip.20431 |
0.574 |
|
| 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 |
0.794 |
|
| 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 |
0.574 |
|
| 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 |
0.321 |
|
| 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 |
0.327 |
|
| 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 |
0.619 |
|
| 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 |
0.579 |
|
| 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 |
0.33 |
|
| 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 |
0.62 |
|
| 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 |
0.333 |
|
| 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 |
0.362 |
|
| 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 |
0.373 |
|
| 2003 |
Marshall GR, Beusen DD. Molecular Modeling in Drug Design Burger's Medicinal Chemistry and Drug Discovery. DOI: 10.1002/0471266949.Bmc003 |
0.336 |
|
| 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 |
0.698 |
|
| 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 |
0.307 |
|
| 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 |
0.415 |
|
| 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 |
0.63 |
|
| 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 |
0.323 |
|
| 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 |
0.369 |
|
| 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 |
0.392 |
|
| 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 DOI: 10.18388/Abp.2001_5111 |
0.386 |
|
| 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. DOI: 10.1007/Bf02900651 |
0.557 |
|
| 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 |
0.7 |
|
| 2000 |
Kent S, Marshall GR, Wlodawer A. Determining the 3D structure of HIV-1 protease. Science (New York, N.Y.). 288: 1590. PMID 10858137 DOI: 10.1126/Science.288.5471.1590A |
0.544 |
|
| 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 |
0.319 |
|
| 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. DOI: 10.1016/S0040-4020(00)00886-3 |
0.331 |
|
| 1999 |
Zabrocki J, Marshall GR. The 1,5-Disubstituted Tetrazole Ring as a cis-Amide Bond Surrogate. Methods in Molecular Medicine. 23: 417-36. PMID 21380911 DOI: 10.1385/0-89603-517-4:417 |
0.357 |
|
| 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 |
0.304 |
|
| 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 |
0.32 |
|
| 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. DOI: 10.1007/Bf02443423 |
0.748 |
|
| 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 |
0.381 |
|
| 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 |
0.395 |
|
| 1998 |
Oprea TI, Marshall GR. Receptor-Based Prediction of Binding Affinities Perspectives in Drug Discovery and Design. 9: 35-61. DOI: 10.1023/A:1027299602978 |
0.315 |
|
| 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 |
0.355 |
|
| 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. DOI: 10.1007/Bf02443497 |
0.346 |
|
| 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 |
0.343 |
|
| 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 |
0.412 |
|
| 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 |
0.367 |
|
| 1996 |
Beusen DD, Shands EFB, Karasek SF, Marshall GR, Dammkoehler RA. Systematic search in conformational analysis Journal of Molecular Structure: Theochem. 370: 157-171. DOI: 10.1016/S0166-1280(96)04565-4 |
0.32 |
|
| 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 |
0.321 |
|
| 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 DOI: 10.1107/S0108270194014952 |
0.317 |
|
| 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 DOI: 10.1021/Jm00001A019 |
0.361 |
|
| 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 |
0.369 |
|
| 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 |
0.363 |
|
| 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 |
0.36 |
|
| 1995 |
Smythe ML, Nakaie CR, Marshall GR. .alpha.-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. DOI: 10.1021/Ja00147A018 |
0.315 |
|
| 1995 |
Smythe ML, Huston SE, Marshall GR. The Molten Helix: Effects of Solvation on the .alpha.- to 310-Helical Transition Journal of the American Chemical Society. 117: 5445-5452. DOI: 10.1021/Ja00125A003 |
0.343 |
|
| 1994 |
Waller CL, Oprea TI, Giolitti A, Marshall GR. Three-dimensional QSAR of human immunodeficiency virus (I) protease inhibitors. 1. A CoMFA study employing experimentally-determined alignment rules. Journal of Medicinal Chemistry. 36: 4152-60. PMID 8277496 DOI: 10.1021/Jm00078A003 |
0.402 |
|
| 1994 |
Nikiforovich GV, Kao JL, Plucinska K, Zhang WJ, Marshall GR. Conformational analysis of two cyclic analogs of angiotensin: implications for the biologically active conformation. Biochemistry. 33: 3591-8. PMID 8142357 DOI: 10.1021/Bi00178A016 |
0.398 |
|
| 1994 |
Huston SE, Marshall GR. Alpha/3(10)-helix transitions in alpha-methylalanine homopeptides: conformational transition pathway and potential of mean force. Biopolymers. 34: 75-90. PMID 8110969 DOI: 10.1002/Bip.360340109 |
0.307 |
|
| 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 |
0.385 |
|
| 1993 |
Ho CM, Marshall GR. FOUNDATION: a program to retrieve all possible structures containing a user-defined minimum number of matching query elements from three-dimensional databases. Journal of Computer-Aided Molecular Design. 7: 3-22. PMID 8473917 DOI: 10.1007/Bf00141572 |
0.313 |
|
| 1993 |
Luker KE, Collier JL, Kolodziej EW, Marshall GR, Goldman WE. Bordetella pertussis tracheal cytotoxin and other muramyl peptides: Distinct structure-activity relationships for respiratory epithelial cytopathology Proceedings of the National Academy of Sciences of the United States of America. 90: 2365-2369. PMID 8460147 DOI: 10.1073/Pnas.90.6.2365 |
0.362 |
|
| 1993 |
Nikiforovich GV, Marshall GR. Conformation-function relationships in LHRH analogs. I. Conformations of LHRH peptide backbone. International Journal of Peptide and Protein Research. 42: 171-80. PMID 8407111 DOI: 10.1111/J.1399-3011.1993.Tb00494.X |
0.371 |
|
| 1993 |
Nikiforovich GV, Marshall GR. Three-dimensional recognition requirements for angiotensin agonists: a novel solution for an old problem. Biochemical and Biophysical Research Communications. 195: 222-8. PMID 8363604 DOI: 10.1006/Bbrc.1993.2033 |
0.398 |
|
| 1993 |
Waller CL, Marshall GR. Three-dimensional quantitative structure-activity relationship of angiotesin-converting enzyme and thermolysin inhibitors. II. A comparison of CoMFA models incorporating molecular orbital fields and desolvation free energies based on active-analog and complementary-receptor-field alignment rules. Journal of Medicinal Chemistry. 36: 2390-403. PMID 8360884 DOI: 10.1021/Jm00068A017 |
0.384 |
|
| 1993 |
Galaktionov SG, Marshall GR. Effects of electric field on alamethicin bound at the lipid-water interface: a molecular mechanics study. Biophysical Journal. 65: 608-17. PMID 8218891 DOI: 10.1016/S0006-3495(93)81093-2 |
0.333 |
|
| 1993 |
Slomczynska U, Zabrocki J, Kaczmarek K, Leplawy MT, Beusen DD, Marshall GR. Facilitated synthesis of peptaibols: alamethicin via enzymatic segment condensation. Biopolymers. 32: 1461-70. PMID 1457727 DOI: 10.1002/Bip.360321106 |
0.321 |
|
| 1993 |
Juvvadi P, Dooley DJ, Humblet CC, Lu GH, Lunney EA, Panek RL, Skeean R, Marshall GR. Bradykinin and angiotensin II analogs containing a conformationally constrained proline analog. International Journal of Peptide and Protein Research. 40: 163-70. PMID 1335995 DOI: 10.1111/J.1399-3011.1992.Tb00289.X |
0.381 |
|
| 1993 |
Kataoka T, Beusen DD, Clark JD, Yodo M, Marshall GR. The utility of side-chain cyclization in determining the receptor-bound conformation of peptides: cyclic tripeptides and angiotensin II. Biopolymers. 32: 1519-33. PMID 1333831 DOI: 10.1002/Bip.360321110 |
0.372 |
|
| 1993 |
DePriest SA, Mayer D, Naylor CB, Marshall GR. 3D-QSAR of angiotensin-converting enzyme and thermolysin inhibitors: a comparison of CoMFA models based on deduced and experimentally determined active site geometries Journal of the American Chemical Society. 115: 5372-5384. DOI: 10.1021/Ja00066A004 |
0.371 |
|
| 1993 |
Ho CMW, Marshall GR. SPLICE: A program to assemble partial query solutions from three-dimensional database searches into novel ligands Journal of Computer-Aided Molecular Design. 7: 623-647. DOI: 10.1007/Bf00125322 |
0.349 |
|
| 1992 |
Zabrocki J, Dunbar JB, Marshall KW, Toth MV, Marshall GR. Conformational mimicry. 3. Synthesis and incorporation of 1,5-disubstituted tetrazole dipeptide analogs into peptides with preservation of chiral integrity: bradykinin The Journal of Organic Chemistry. 57: 202-209. DOI: 10.1021/Jo00027A038 |
0.327 |
|
| 1992 |
Marshall GR. Three-dimensional structure of peptide—protein complexes: implications for recognition Current Opinion in Structural Biology. 2: 904-919. DOI: 10.1016/0959-440X(92)90117-P |
0.362 |
|
| 1991 |
Ho CM, Marshall GR. Cavity search: an algorithm for the isolation and display of cavity-like binding regions. Journal of Computer-Aided Molecular Design. 4: 337-54. PMID 2092080 DOI: 10.1016/0263-7855(92)80010-B |
0.304 |
|
| 1990 |
Marshall GR, Hodgkin EE, Langs DA, Smith GD, Zabrocki J, Leplawy MT. Factors governing helical preference of peptides containing multiple alpha,alpha-dialkyl amino acids. Proceedings of the National Academy of Sciences of the United States of America. 87: 487-91. PMID 2296604 DOI: 10.1073/Pnas.87.1.487 |
0.325 |
|
| 1990 |
Rich DH, Green J, Toth MV, Marshall GR, Kent SB. Hydroxyethylamine analogues of the p17/p24 substrate cleavage site are tight-binding inhibitors of HIV protease. Journal of Medicinal Chemistry. 33: 1285-8. PMID 2184237 DOI: 10.1021/Jm00167A003 |
0.522 |
|
| 1990 |
Marshall GR, Beusen DD, Kociolek K, Redlinski AS, Leplawy MT, Pan Y, Schaefer J. Determination of a precise interatomic distance in a helical peptide by REDOR NMR Journal of the American Chemical Society. 112: 963-966. DOI: 10.1021/Ja00159A009 |
0.332 |
|
| 1990 |
Hodgkin EE, Clark JD, Miller KR, Marshall GR. Conformational analysis and helical preferences of normal and ?,?-dialkyl amino acids Biopolymers. 30: 533-546. DOI: 10.1002/Bip.360300506 |
0.317 |
|
| 1989 |
Dammkoehler RA, Karasek SF, Shands EF, Marshall GR. Constrained search of conformational hyperspace. Journal of Computer-Aided Molecular Design. 3: 3-21. PMID 2715794 DOI: 10.1007/Bf01590992 |
0.356 |
|
| 1989 |
Miller M, Schneider J, Sathyanarayana BK, Toth MV, Marshall GR, Clawson L, Selk L, Kent SB, Wlodawer A. Structure of complex of synthetic HIV-1 protease with a substrate-based inhibitor at 2.3 A resolution. Science (New York, N.Y.). 246: 1149-52. PMID 2686029 DOI: 10.1126/Science.2686029 |
0.575 |
|
| 1988 |
Marshall GR, Clark JD, Dunbar JB, Smith GD, Zabrocki J, Redlinski AS, Leplawy MT. Conformational effects of chiral alpha,alpha-dialkyl amino acids. I. C-terminal tetrapeptides of emerimicin containing alpha-ethylalanine. International Journal of Peptide and Protein Research. 32: 544-55. PMID 3246479 DOI: 10.1111/J.1399-3011.1988.Tb01386.X |
0.306 |
|
| 1988 |
Marshall GR, Cramer RD. Three-dimensional structure-activity relationships Trends in Pharmacological Sciences. 9: 285-289. PMID 3074545 DOI: 10.1016/0165-6147(88)90012-0 |
0.375 |
|
| 1987 |
Tonani R, Dunbar J, Edmonston B, Marshall GR. Computer-aided molecular modeling of a D2-agonist dopamine pharmacophore Journal of Computer-Aided Molecular Design. 1: 121-132. PMID 3504212 DOI: 10.1007/Bf01676956 |
0.355 |
|
| 1987 |
Iijima H, Dunbar JB, Marshall GR. Calibration of effective van der Waals atomic contact radii for proteins and peptides. Proteins. 2: 330-9. PMID 3448607 DOI: 10.1002/Prot.340020408 |
0.369 |
|
| 1987 |
Mayer D, Naylor CB, Motoc I, Marshall GR. A unique geometry of the active site of angiotensin-converting enzyme consistent with structure-activity studies. Journal of Computer-Aided Molecular Design. 1: 3-16. PMID 2851035 DOI: 10.1007/Bf01680553 |
0.383 |
|
| 1987 |
Allen PM, Matsueda GR, Evans RJ, Dunbar JB, Marshall GR, Unanue ER. Identification of the T-cell and Ia contact residues of a T-cell antigenic epitope. Nature. 327: 713-5. PMID 2439915 DOI: 10.1038/327713A0 |
0.316 |
|
| 1986 |
Hsieh KH, Marshall GR. Role of the C-terminal carboxylate in angiotensin II activity: alcohol, ketone, and ester analogues of angiotensin II. Journal of Medicinal Chemistry. 29: 1968-71. PMID 3761315 DOI: 10.1021/Jm00160A028 |
0.321 |
|
| 1985 |
MARSHALL GR. Structure-Activity Studies: A Three-Dimensional Probe of Receptor Specificity Annals of the New York Academy of Sciences. 439: 162-169. DOI: 10.1111/J.1749-6632.1985.Tb25795.X |
0.309 |
|
| 1984 |
Van Roey P, Smith GD, Balasubramanian TM, Czerwinski EW, Marshall GR, Mathews FS. Crystal and molecular structure of tert.-butyloxycarbonyl-L-prolyl-alpha-aminoisobutyryl-L-alanyl-alpha- aminoisobutyrate methyl ester. International Journal of Peptide and Protein Research. 22: 404-9. PMID 6654587 DOI: 10.1111/J.1399-3011.1983.Tb02109.X |
0.319 |
|
| 1984 |
Hall JE, Vodyanoy I, Balasubramanian TM, Marshall GR. Alamethicin. A rich model for channel behavior. Biophysical Journal. 45: 233-47. PMID 6324906 DOI: 10.1016/S0006-3495(84)84151-X |
0.327 |
|
| 1982 |
Hsieh K, Marshall GR. Alkylating angiotensin II analogues: synthesis, analysis, and biological activity of angiotensin II analogues containing the nitrogen mustard melphalan in position 8. Journal of Medicinal Chemistry. 24: 1304-10. PMID 7310805 DOI: 10.1021/Jm00143A009 |
0.317 |
|
| 1982 |
Van Roey P, Smith GD, Balasubramanian TM, Redlinski AS, Marshall GR. Crystal and molecular structure of tert.-butyloxycarbonyl-L-hydroxy-prolyl-alpha-aminoisobutyryl-alpha-aminoisobutyryl-L-phenylalaninol. International Journal of Peptide and Protein Research. 19: 499-505. PMID 7118420 DOI: 10.1111/J.1399-3011.1982.Tb02635.X |
0.343 |
|
| 1981 |
Vine WH, Hsieh KH, Marshall GR. Synthesis of fluorine-containing peptides. Analogues of angiotensin II containing hexafluorovaline. Journal of Medicinal Chemistry. 24: 1043-7. PMID 7288818 DOI: 10.1021/Jm00141A005 |
0.322 |
|
| 1981 |
Smith GD, Pletnev VZ, Duax WL, Balasubramanian TM, Bosshard HE, Czerwinski EW, Kendrick NE, Mathews FS, Marshall GR. Crystal structures and conformational calculations of fragments of alamethicin containing aminoisobutyric acid Journal of the American Chemical Society. 103: 1493-1501. DOI: 10.1021/Ja00396A033 |
0.301 |
|
| 1981 |
Humblet C, Marshall GR. Three-dimensional computer modeling as an aid to drug design Drug Development Research. 1: 409-434. DOI: 10.1002/Ddr.430010408 |
0.315 |
|
| 1980 |
Gorin FA, Balasubramanian TM, Cicero TJ, Schwietzer J, Marshall GR. Novel analogues of enkephalin: Identification of functional groups required for biological activity Journal of Medicinal Chemistry. 23: 1113-1122. PMID 6252322 DOI: 10.1002/Chin.198110361 |
0.324 |
|
| 1980 |
Humblet C, Marshall GR. Chapter 28. Pharmacophore Identification and Receptor Mapping Annual Reports in Medicinal Chemistry. 15: 267-276. DOI: 10.1016/S0065-7743(08)60389-9 |
0.333 |
|
| 1980 |
Cobb MH, Heagy W, Danner J, Lenhoff HM, Marshall GR. Effect of glutathione on cyclic nucleotide levels in hydra attenuata Comparative Biochemistry and Physiology. Part C, Comparative. 65: 111-115. DOI: 10.1016/0306-4492(80)90030-1 |
0.468 |
|
| 1978 |
Danner J, Cobb MH, Heagy W, Lenhoff HM, Marshall GR. Interaction of glutathione analogues with Hydra attenuata gamma-glutamyltransferase. The Biochemical Journal. 175: 547-53. PMID 33656 DOI: 10.1042/Bj1750547 |
0.509 |
|
| 1978 |
Marshall GR, Gorin FA, Moore ML. Chapter 24. Peptide Conformation and Biological Activity Annual Reports in Medicinal Chemistry. 13: 227-238. DOI: 10.1016/S0065-7743(08)60627-2 |
0.382 |
|
| 1977 |
Gorin FA, Marshall GR. Proposal for the biologically active conformation of opiates and enkephalin Proceedings of the National Academy of Sciences of the United States of America. 74: 5179-5183. PMID 270758 DOI: 10.1073/Pnas.74.11.5179 |
0.368 |
|
| 1976 |
Danner J, Lenhoff HM, Houston-Cobb M, Heagy W, Marshall GR. gamma-Glutamyl transpeptidase in Hydra. Biochemical and Biophysical Research Communications. 73: 180-6. PMID 11797 DOI: 10.1016/0006-291X(76)90513-1 |
0.34 |
|
| 1975 |
Turk J, Needleman P, Marshall GR. Analogs of bradykinin with restricted conformational freedom. Journal of Medicinal Chemistry. 18: 1139-42. PMID 1236952 DOI: 10.1002/Chin.197608333 |
0.359 |
|
| 1975 |
Turk J, Needleman P, Marshall GR. Alkylating analogs of bradykinin. Journal of Medicinal Chemistry. 18: 1135-9. PMID 240938 DOI: 10.1002/Chin.197608334 |
0.351 |
|
| 1971 |
Marshall GR, Vine W, Needlemann P. A specific competitive inhibitor of angiotensin II. Proceedings of the National Academy of Sciences of the United States of America. 67: 1624-30. PMID 4322025 DOI: 10.1073/Pnas.67.3.1624 |
0.33 |
|
| 1965 |
Marshall GR, Merrifield RB. Synthesis of Angiotensins by the Solid-Phase Method* Biochemistry. 4: 2394-2401. DOI: 10.1021/Bi00887A020 |
0.474 |
|
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