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Characterization of neurotoxic and neuroprotective factors by using computational methodologies
Responsabile: Luigi Vitagliano, luigi.vitaglianocnr.it

Descrizione:
Neurodegenerative diseases are widespread pathologies of large social impact that include: prion, Alzheimer and Parkinson disease, Huntington chorea and amyotrophic lateral sclerosis. The onset of these diseases is commonly associated with the accumulation of insoluble amyloid plaques in specific neuronal population. In this scenario, research activities for the prevention and the treatment of these diseases are focused on two distinct directions: (a) the enhancement of factors that promote the survival and maintenance of nerve cells and (b) the definition of the molecular processes that lead to the onset of neurodegenerative diseases. In this framework, the activities here described are focused on the analysis of structural/dynamic determinants of the function of neuroprotective proteins (neurotrophins) (1, 2) and the study of structural properties of amyloid aggregates and their toxic precursors (3, 8). Computations carried out on neurotrophins have not only provided clues on the intrinsic dynamic features of these proteins, but they have also suggested strategies for the design and the development of new compounds of potential therapeutic interest (1, 2). Furthermore, Molecular dynamics simulations have provided valuable information on the conformational preferences of amyloid-like aggregates in non-crystalline environments. Notably, these investigations are also providing clues on the genesis of oligomeric amyloid-like states and on the structural basis of their toxicity


Attori:
Luigi Vitagliano, luigi.vitaglianocnr.it,
Luciana Esposito, luciana.espositocnr.it,


Figure 1. Model of polyglutamine fibers as derived from molecular dynamics studies.

Figure 2. A 310 helical model of NT4 N-terminal peptide derived from the simulation (cyan) superimposed on the N-terminal region of the NT4 (pink) in the NT4-TrkB complex.

1) Stanzione F, Esposito L, Paladino A, Pedone C, Morelli G, Vitagliano L. Role of the conformational versatility of the neurotrophin N-terminal regions in their recognition by Trk receptors. Biophysical J. 2010, 99: 2273-8. 2) Colangelo AM, Bianco MR, Vitagliano L, Cavaliere C, Cirillo G, De Gioia L, Diana D, Colombo D, Redaelli C, Zaccaro L, Morelli G, Papa M, Sarmientos P, Alberghina L, Martegani E. A new Nerve Growth Factor (NGF)-mimetic peptide active on neuropathic pain in rats. J Neurosci. 2008 28: 2698-7093) Vitagliano L, Stanzione F, De Simone A, Esposito L. Dynamics and stability of amyloid-like steric zipper assemblies with hydrophobic dry interfaces. Biopolymers. 2009 91: 1161-1171. 4) De Simone A, Esposito L, Pedone C, Vitagliano L. Insights into stability and toxicity of amyloid-like oligomers by replica exchange molecular dynamics analyses. Biophys J. 2008 95: 1965-735) Esposito L, Paladino A, Pedone C, Vitagliano L. Insights into structure, stability and toxicity of monomeric and aggregated polyglutamine models from molecular dynamics simulations. Biophys. J. 2008 94: 4031-40. 6) Vitagliano L., Esposito L., Pedone C., De Simone A. Stability of single sheet GNNQQNY aggregates analyzed by replica exchange molecular dynamics: antiparallel versus parallel association. Biochem Biophys Res Commun 2008 377: 1036-41. 7) De Simone A, Pedone C, Vitagliano L. Structure, dynamics and stability of assemblies of the human prion fragment SNQNNF: insights into prion fiber structure. Biochem Biophys Res Commun. 2008 366: 800-6. 8) Esposito, L., Pedone, C. , Vitagliano, L. (2006). Molecular dynamics analyses of cross b-spine steric zipper models: b-sheet twisting and aggregation. Proc. Natl. Acad. Sci. USA 103, 11533-8
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Merlino A, Vitiello G, Grimaldi M, Sica F, Busi E, Basosi R, D’Ursi A, Fragneto G, Paduano L, D’Errico G
J Phys Chem B (ISSN: 1520-6106, 1520-5207, 1520-5207electronic), 2012 Jan 12; 116(1): 401-412.
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* Beta-Hairpin Peptide That Targets Vascular Endothelial Growth Factor (vegf) Receptors: Design, Nmr Characterization, And Biological Activity (125 visite)
Diana D, Basile A, De Rosa L, Di Stasi R, Auriemma S, Arra C, Pedone C, Turco MC, Fattorusso R, D'Andrea LD
J Biol Chem Journal Of Biological Chemistry (ISSN: 1083-351x, 0021-9258), 2011 Dec 2; 286(48): 41680-41691.
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* Synthesis and characterization of a novel ester-based nucleoamino acid for the assembly of aromatic nucleopeptides for biomedical applications (78 visite)
Roviello GN, Musumeci D, Bucci EM, Pedone C
Int J Pharm International Journal Of Pharmaceutics (ISSN: 0378-5173, 1873-3476), 2011 Sep 30; 415(1-2): 206-210.
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* Quantitative Imaging Characterization Of Hypersecreting Or Non-Hypersecreting Adrenal Adenomas: Comparison Between Iodine-131 Nor-Cholesterol Uptake And Magnetic Resonance Signal Intensity Ratios (58 visite)
Maurea S, Imbriaco M, Mollica C, Pace L, Salvatore M
Nuclear Medicine Communications (ISSN: 1473-5628, 0143-3636), 2011 Jun; 32(6): 535-541.
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* Design, synthesis and characterization of a peptide able to bind proteins of the KCTD family: implications for KCTD - cullin 3 recognition (87 visite)
Pirone L, Correale S, De Paola I, Zaccaro L, De Simone G, Vitagliano L, Pedone E, Di Gaetano S
J Pept Sci (ISSN: 1075-2617, 1099-1387, 1075-2617print), 2011 May; 17(5): 373-376.
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* Electrochemical characterization of ordered arrays of metallo-porphyrins in aqueous solution (95 visite)
Tabbì G, Di Mauro G, Purrello R, Bonomo RP
Dalton Trans (ISSN: 1477-9226, 1477-9234, 1477-9234electronic), 2011 Apr 28; 40(16): 4223-4229.
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* Description and Characterization of a Highly Stable Enthalpic Intermediate State in Mouse Prion Protein Folding (56 visite)
Benetti F, Biarnes X, Attanasio F, Rizzarelli E, Laio A, Legname G
Prion (ISSN: 1933-6896), 2011 Apr; 5: N/D-N/D.
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* Characterization of a designed vascular endothelial growth factor receptor antagonist helical peptide with antiangiogenic activity in vivo (98 visite)
Basile A, Del Gatto A, Diana D, Di Stasi R, Falco A, Festa M, Rosati A, Barbieri A, Franco R, Arra C, Pedone C, Fattorusso R, Turco MC, D'Andrea LD
J Med Chem (ISSN: 1520-4804, 0022-2623, 0022-2623print), 2011 Mar 10; 54(5): 1391-1400.
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* New glycoside derivatives of carnosine and analogs resistant to carnosinase hydrolysis: synthesis and characterization of their copper(II) complexes (99 visite)
Lanza V, Bellia F, D'Agata R, Grasso G, Rizzarelli E, Vecchio G
J Chem Res (ISSN: 1873-3344, 0162-0134, 0162-0134print), 2011 Feb; 105(2): 181-188.
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* Diaminotrehalose-capped β-cyclodextrin, a new member of hemispherodextrins: Synthesis, thermodynamic and spectroscopic characterization and its exploitation in chiral electrokinetic chromatography (68 visite)
Cucinotta V, Giuffrida A, Grasso G, MacCarrone G, Mazzaglia A, Messina M, Vecchio G
J Sep Sci (ISSN: 1615-9306), 2011 Jan; 34(1): 70-76.
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* Hereditary Fructose Intolerance: Functional Study of Two Novel ALDOB Natural Variants and Characterization of a Partial Gene Deletion (110 visite)
Esposito G, Imperato MR, Ieno L, Sorvillo R, Benigno V, Parenti G, Parini R, Vitagliano L, Zagari A, Salvatore F
Hum Mutat (ISSN: 1059-7794, 1098-1004, 1098-1004electronic), 2010 Dec; 31(12): 1294-1303.
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* Free-Energy Profile for CO Binding to Separated Chains of Human and Trematomus newnesi Hemoglobin: Insights from Molecular Dynamics Simulations and Perturbed Matrix Method (68 visite)
Merlino A, Vergara A, Sica F, Aschi M, Amadei A, Di Nola A, Mazzarella L
J Phys Chem B (ISSN: 1520-6106, 1520-5207, 1520-5207electronic), 2010 May 27; 114(20): 7002-7008.
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* Structural characterization of triorganotin(IV) complexes with sodium fusidate and DFT calculations (65 visite)
Abbate M, Casella G, Fiore T, Grasso G, Pellerito C, Scopelliti M, Spinella A, Pellerito L
J Organomet Chem (ISSN: 0022-328x), 2010 May 1; 695(9): 1405-1413.
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* Design, synthesis, and functional characterization of new cyclepeptides inhibitors for C-X-C chemokine receptor-4 (CXCR4) (57 visite)
Scala S, Portella L, Napolitano M, Consales C, Polimeno MN, D'Alterio C,  Palma G, Arra C, Vitale R, Amodeo P,  De Luca S, Monfrecola L, Castello G
Meetingproceedings Of The American Association For Cancer Research Annual (ISSN: 0197-016x), 2010 Apr; 51: N/D-N/D.
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* Synthesis and Characterization of a Selective Alpha(v)Beta(3) Receptor Cyclic Peptide Antagonist Functionalized with a Chelating Group for Metal Labelling (71 visite)
Monfregola L, Saviano M, De Luca S
International Journal Of Peptide Research And Therapeutics (ISSN: 1573-3149, 0929-5666), 2010 Mar; 16(1): 1-5.
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* Carbonic anhydrase IX: Biochemical and crystallographic characterization of a novel antitumor target (131 visite)
De Simone G, Supuran CT
Biochim Biophys Acta (ISSN: 1570-9639, 0006-3002, 0925-4439), 2010 Feb; 1804(2): 404-409.
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* Synthesis, Characterization And Hybridization Studies Of An Alternate Nucleo-Epsilon/Gamma-Peptide: Complexes Formation With Natural Nucleic Acids (78 visite)
Roviello GN, Musumeci D, Pedone C, Bucci EM
Amino Acids (ISSN: 0939-4451, 1438-2199, 1438-2199electronic), 2010 Jan; 38(1): 103-111.
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* Amino acid transport in thermophiles: characterization of an arginine-binding protein in Thermotoga maritima (83 visite)
Luchansky MS, Der BS, D'Auria S, Pocsfalvi G, Iozzino L, Marasco D, Dattelbaum JD
Molecular Biosystems (ISSN: 1742-206x), 2010; 6(1): 142-151.
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* Exploring Phm Active Site: Characterization Of Novel Pba-Derived Inhibitors Using A Combined Experimental And Computational Approach (59 visite)
Langella E, Pierre S, Ghattas W, Giorgi M, Rglier M, Saviano M,  Esposito L, Hardr R
Chemmedchem, 2010; 5: 1568-1576.
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* VEGFR1(D2) in drug discovery: Expression and molecular characterization (77 visite)
Di Stasi R, Diana D, Capasso D, Palumbo R, Romanelli A, Pedone C, Fattorusso R, D'Andrea LD
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2010; 94(6): 800-809.
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* Generation And Functional Characterization Of A Bcl10-Inhibitory Peptide That Represses Nf-Kappa B Activation (92 visite)
Marasco D, Stilo R, Sandomenico A, Monti SM, Tizzano B, De Capua A, Varricchio E, Liguoro D, Zotti T, Formisano S, Ruvo M, Vito P
Biochem J (ISSN: 0264-6021, 1470-8728electronic, 0264-6021linking), 2009 Sep 15; 422(3): 553-561.
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* Prion Proteins Leading to Neurodegeneration (vol 5, pg 579, 2008) (62 visite)
La Mendola D, Pietropaolo A, Pappalardo G, Zannoni C, Rizzarelli E
Current Alzheimer Research (ISSN: 1567-2050), 2009 Jun; 6(3): N/D-N/D.
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* Functional and structural characterization of novel mutations and genotype-phenotype correlation in 51 phenylalanine hydroxylase deficient families from Southern Italy (75 visite)
Daniele A, Scala I, Cardillo G, Pennino C, Ungaro C, Sibilio M, Parenti G, Esposito L, Zagari A, Andria G, Salvatore F
Febs Journal (ISSN: 1742-464x), 2009 Apr; 276(7): 2048-2059.
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* The hemoglobins of the sub-Antarctic fish Cottoperca gobio, a phyletically basal species - oxygen-binding equilibria, kinetics and molecular dynamics (92 visite)
Giordano D, Boechi L, Vergara A, Marti MA, Samuni U, Dantsker D, Grassi L, Estrin DA, Friedman JM, Mazzarella L, Di Prisco G, Verde C
Febs Journal (ISSN: 1742-464x), 2009 Apr; 276(8): 2266-2277.
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* Molecular dynamics studies of the P pilus rod subunit PapA (78 visite)
Vitagliano L, Ruggiero A, Pedone C, Berisio R
J Pept Sci (ISSN: 1075-2617, 1099-1387, 1075-2617print), 2009 Mar; 15(3): 192-199.
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* Characterization of hypersecreting or non-hypersecreting adrenal adenomas: Comparison between iodine-131 nor-cholesterol scintigraphy and magnetic resonance imaging (90 visite) (PDF 98 visite)
Maurea S, Soricelli A, Salvatore M
Curr Radiopharm Bentham Science Publishers B V (ISSN: 1874-4710, 1874-4729), 2009; 2(1): 56-62.
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* Colloidal particles composed of amphiphilic molecules binding gadolinium complexes and peptides as tumor-specific contrast agents in MRI: physico-chemical characterization (147 visite)
Vaccaro M, Mangiapia G, Radulescu A, Schillen K, D'Errico G, Morelli G, Paduano L
Soft Matter (ISSN: 1744-683x), 2009; 5(13): 2504-2512.
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* Stability of single sheet GNNQQNY aggregates analyzed by replica exchange molecular dynamics: antiparallel versus parallel association (103 visite)
Vitagliano L, Esposito L, Pedone C, De Simone A
Biochem Biophys Res Commun (ISSN: 1090-2104, 0006-291x, 1090-2104electronic), 2008 Dec 26; 377(4): 1036-1041.
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* Prion proteins leading to neurodegeneration (104 visite)
La Mendola D, Pietropaolo A, Pappalardo G, Zannoni C, Rizzarelli E
Current Alzheimer Research (ISSN: 1567-2050), 2008 Dec; 5(6): 579-590.
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* Biochemical characterization of CA IX, one of the most active carbonic anhydrase isozymes (87 visite)
Hilvo M, Baranauskiene L, Salzano AM, Scaloni A, Matulis D, Innocenti A, Scozzafava A, Monti SM, Di Fiore A, De Simone G, Lindfors M, Janis J, Valjakka J, Pastorekova S, Pastorek J, Kulomaa MS, Nordlund HR, Supuran CT, Parkkila S
J Biol Chem Journal Of Biological Chemistry (ISSN: 0021-9258, 1083-351x), 2008 Oct 10; 283(41): 27799-27809.
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* The role of the Cys2-Cys7 disulfide bridge in the early steps of Islet amyloid polypeptide aggregation: A molecular dynamics study (86 visite)
Milardi D, Pappalardo M, Pannuzzo M, Grasso DM, Rosa CL
Chemical Physics Letters (ISSN: 0009-2614), 2008 Oct 1; 463(4-6): 396-399.
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* Insights into stability and toxicity of amyloid-like oligomers by replica exchange molecular dynamics analyses (84 visite)
De Simone A, Esposito L, Pedone C, Vitagliano L
Biophysical Journal (ISSN: 1542-0086, 0006-3495), 2008 Sep 15; 95(4): 1965-1973.
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* Spectroscopic and crystallographic characterization of a tetrameric hemoglobin oxidation reveals structural features of the functional intermediate relaxed/tense state (83 visite)
Vitagliano L, Vergara A, Bonomi G, Merlino A, Verde C, Di Prisco G, Howes BD, Smulevich G, Mazzarella L
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126), 2008 Sep 13; 130(32): 10527-10535.
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* Micelles by self-assembling peptide-conjugate amphiphile: Synthesis and structural characterization (109 visite)
Accardo A, Tesauro D, Del Pozzo L, Mangiapia G, Paduano L, Morelli G
J Pept Sci (ISSN: 1075-2617, 1099-1387, 1075-2617print), 2008 Sep; 14(8): 903-910.
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* Synthesis and in vitro and in vivo characterization of NGF mimetic peptides (61 visite)
Sarmientos P, Morelli G, Alberghina L, Colangelo A, Martegani E, Vitagliano L, Papa M, Tornesello AL
J Pept Sci (ISSN: 1075-2617, 1099-1387, 1075-2617print), 2008 Sep; 14(8): N/D-N/D.
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* Expression and purification of the D4 region of PLD1 and characterization of its interaction with PED-PEA15 (67 visite)
Viparelli F, Doti N, Sandomenico A, Marasco D, Dathan NA, Miele C, Beguinot F, Monti SM, Ruvo M
Protein Expr Purif (ISSN: 1046-5928), 2008 Jun; 59(2): 302-308.
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* Insights into structure, stability, and toxicity of monomeric and aggregated polyglutamine models from molecular dynamics simulations (78 visite)
Esposito L, Paladino A, Pedone C, Vitagliano L
Biophysical Journal (ISSN: 1542-0086, 0006-3495), 2008 May 15; 94(10): 4031-4040.
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* Peroxiredoxins as cellular guardians in Sulfolobus solfataricus - characterization of Bcp1, Bcp3 and Bcp4 (80 visite)
Limauro D, Pedone E, Galdi I, Bartolucci S
Febs Journal (ISSN: 1742-464x), 2008 May; 275(9): 2067-2077.
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* The identification and characterization of fusogenic domains in herpes virus glycoprotein B molecules (69 visite)
Galdiero S, Vitiello M, D'Isanto M, Falanga A, Cantisani M, Browne H, Pedone C, Galdiero M
Chembiochem (ISSN: 1439-7633, 1439-4227, 1439-7633electronic), 2008 Mar 25; 9(5): 758-767.
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* In vivo and in vitro characterization of CCK8 bearing a histidine-based chelator labeled with Tc-99m-tricarbonyl (155 visite)
D'Andrea LD, Testa I, Panico M, Di Stasi R, Carac C, Tarallo L, Arra C, Barbieri A, Romanelli A, Aloj L
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2008; 90(5): 707-712.
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* Molecular modeling and functional characterization of the monomeric primase-polymerase domain from the Sulfolobus solfataricus plasmid pIT3 (76 visite)
Prato S, Vitale RM, Contursi P, Lipps G, Saviano M, Rossi M, Bartolucci S
Febs J (ISSN: 1742-464x), 2008; 275(17): 4389-4402.
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* Spectroscopic And Crystallographic Characterization Of A Tetrameric Hemoglobin Oxidation Pathway Reveals Structural Features Of A Functional Intermediate R/T State (61 visite)
Vitagliano L, Vergara A, Bonomi G, Merlino A, Verde C, Di Prisco G, Howes BD, Smulevich G, Mazzarella L
Biophys J, 2008; 94: 4031-4040.
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* Spectroscopic and crystallographic characterization of bis-histidyl adducts in tetrameric hemoglobins (67 visite)
Vergara A, Vitagliano L, Verde C, di Prisco G, Mazzarella L
Methods Enzymol (ISSN: 0076-6879, 1557-7988electronic), 2008; 436: 425-444.
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* Spectroscopic And Crystallographic Characterization Of Hemichromes In Tetrameric Hemoglobins (77 visite)
Vergara A, Vitagliano L, Di Prisco G, Verde C, Mazzarella L
Methods In Enzymology, 2008; 436: 421-440.
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* Structural characterization of a neurotoxic threonine-rich peptide corresponding to the human prion protein α2-helical 180-195 segment and comparison with full-length α2-helix-derived peptides (86 visite)
Ronga L, Palladino P, Saviano G, Tancredi T, Benedetti E, Ragone R, Rossi F
J Pept Sci (ISSN: 1075-2617, 1099-1387, 1075-2617print), 2008; 14(10): 1096-1102.
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* The cell cycle molecules behind neurodegeneration in Alzheimer's disease: Perspectives for drug development (84 visite)
Copani A, Guccione S, Giurato L, Caraci F, Calafiore M, Sortino MA
Curr Med Chem (ISSN: 0929-8673, 1875-533x, 1875-533xelectronic), 2008; 15(24): 2420-2432.
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* Time-resolved fluorescence spectroscopy and molecular dynamics simulations point out the effects of pressure on the stability and dynamics of the porcine odorant-binding protein (77 visite)
Staiano M, Saviano M, Herman P, Grycznyski Z, Fini C, Varriale A, Parracino A, Kold AB, Rossi M, D'Auria S
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2008; 89(4): 284-291.
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* Structural and relaxometric characterization of peptide aggregates containing gadolinium complexes as potential selective contrast agents in MRI (92 visite)
Vaccaro M, Mangiapia G, Paduano L, Gianolio E, Accardo A, Tesauro D, Morelli G
Chemphyschem (ISSN: 1439-4235, 1439-7641, 1439-7641electronic), 2007 Dec 3; 8(17): 2526-2538.
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* AP/MALDI-MS complete characterization of the proteolytic fragments produced by the interaction of insulin degrading enzyme with bovine insulin (110 visite)
Grasso G, Rizzarelli E, Spoto G
J Mass Spectrom Journal Of Mass Spectrometry (ISSN: 1076-5174, 1096-9888), 2007 Dec; 42(12): 1590-1598.
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* Structural characterization of ferric hemoglobins from three Antarctic fish species of the suborder notothenioidei (63 visite)
Vergara A, Franzese M, Merlino A, Vitagliano L, Verde C, Di Prisco G, Lee HC, Peisach J, Mazzarella L
Biophysical Journal (ISSN: 0006-3495, 1542-0086), 2007 Oct; 93(8): 2822-2829.
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* Peptides and gd complexes containing colloidal assemblies as tumor-specific contrast agents in MRI: Physicochemical characterization (74 visite)
Vaccaro M, Accardo A, D'Errico G, Schillen K, Radulescu A, Tesauro D, Morelli G, Paduano L
Biophysical Journal (ISSN: 0006-3495, 1542-0086), 2007 Sep; 93(5): 1736-1746.
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* An NMR and molecular dynamics investigation of the avian prion hexarepeat conformational features in solution (74 visite)
Pietropaolo A, Raiola L, Muccioli L, Tiberio G, Zannoni C, Fattorusso R, Isernia C, La Mendola D, Pappalardo G, Rizzarelli E
Chemical Physics Letters (ISSN: 0009-2614), 2007 Jul 6; 442(1-3): 110-118.
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* A Molecular Dynamics Study of Pilus Subunits: Insights into Pilus Biogenesis (96 visite)
Vitagliano L, Ruggiero A, Pedone C, Berisio R
J Mol Biol Journal Of Molecular Biology (ISSN: 0022-2836, 1089-8638, 1089-8638electronic), 2007 Apr 6; 367(4): 935-941.
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* MRI characterization of myocardial tissue in patients with Fabry's disease (89 visite)
Imbriaco M, Spinelli L, Cuocolo A, Maurea S, Sica G, Quarantelli M, Pisani A, Liuzzi R, Cianciaruso B, Sabbatini M, Salvatore M
Ajr Am J Roentgenol (ISSN: 1546-3141, 0361-803x, 1546-3141electronic), 2007 Mar; 188(3): 850-853.
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* Oc158: Multimodal Diagnostic Flow Chart For Prenatal Characterization Of Cns Abnormalities In A Tertiary Referral Center: The Role Of Mri (65 visite)
Paladini D, Sglavo G, Quarantelli M, Vassallo M, Nappi C
Ultrasound Obstet Gynecol, 2007; 30: 415-416.
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* Steered molecular dynamics studies reveal different unfolding pathways of prions from mammalian and non-mammalian species (81 visite)
Pappalardo M, Milardi D, Grasso D, La Rosa C
New Journal Of Chemistry (ISSN: 1144-0546), 2007; 31(6): 901-905.
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* Characterization of a multifunctional protein disulfide oxidoreductase from Sulfolobus solfataricus (57 visite)
Pedone E, Limauro D, D'Alterio R, Rossi M, Bartolucci S
Febs Journal (ISSN: 1742-464x), 2006 Dec; 273(23): 5407-5420.
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* In situ AP/MALDI-MS characterization of anchored matrix metalloproteinases (94 visite)
Grasso G, Fragai M, Rizzarelli E, Spoto G, Yeo KJ
J Mass Spectrom Journal Of Mass Spectrometry (ISSN: 1076-5174, 1096-9888), 2006 Dec; 41(12): 1561-1569.
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* Synthesis, Characterization And Hybridization Studies Of New Nucleo-Gamma-Peptides Based On Diaminobutyric Acid (84 visite)
Roviello GN, Moccia M, Sapio R, Valente M, Bucci EM, Castiglione M, Pedone C, Perretta G, Benedetti E, Musumeci D
J Pept Sci (ISSN: 1075-2617, 1099-1387, 1075-2617print), 2006 Dec; 12(12): 829-835.
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* Molecular dynamics analyses of cross-beta-spine steric zipper models: beta-sheet twisting and aggregation (109 visite)
Esposito L, Pedone C, Vitagliano L
Proc Natl Acad Sci U S A (ISSN: 0027-8424, 1091-6490, 0027-8424print), 2006 Sep 1; 103(31): 11533-11538.
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* 18F-FDG PET and PET/CT in the localization and characterization of lesions in patients with ovarian cancer (64 visite)
Caprio MG, Capacchione D, Mainolfi CG, Salvatore B, Varrone A, Cella L, Pace L, Salvatore M
Eur J Nucl Med Mol Imaging (ISSN: 1619-7070, 1619-7089, 0340-6997), 2006 Sep; 33: N/D-N/D.
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* Supramolecular aggregates of amphiphilic gadolinium complexes as blood pool MRI/MRA contrast agents: Physicochemical characterization (97 visite)
Vaccaro M, Accardo A, Tesauro D, Mangiapia G, Loef D, Schillen K, Soederman O, Morelli G, Paduan L
Langmuir (ISSN: 0743-7463), 2006 Jul 18; 22(15): 6635-6643.
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* Assessing the acid-base and conformational properties of histidine residues in human prion protein (125-228) by means of pKα calculations and molecular dynamics simulations (122 visite)
Langella E, Improta R, Crescenzi O, Barone V
Proteins (ISSN: 0887-3585, 1097-0134, 1097-0134electronic), 2006 Jul 1; 64(1): 167-177.
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* Polyglutamine Repeats And Beta-Helix Structure: Molecular Dynamics Study (95 visite)
Merlino A, Esposito L, Vitagliano L
Proteins (ISSN: 0887-3585, 1097-0134, 1097-0134electronic), 2006 Jun 1; 63(4): 918-927.
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* Characterization of nigrostriatal dysfunction in spinocerebellar ataxia 17 (70 visite)
Salvatore E, Varrone A, Sansone V, Nolano M, Bruni AC, De Rosa A, Santoro L, Pappata S, Filla A, De Michele G
Mov Disord (ISSN: 0885-3185, 1531-8257), 2006 Jun; 21(6): 872-875.
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* Conformation analysis of aspartame-based sweeteners by NMR spectroscopy, molecular dynamics simulations, and X-ray diffraction studies (147 visite)
De Capua A, Goodman M, Amino Y, Saviano M, Benedetti E
Chembiochem (ISSN: 1439-4227, 1439-7633, 1439-7633electronic), 2006 Feb; 7(2): 377-387.
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* Identification and characterization of 1-Cys peroxiredoxin from Sulfolobus solfataricus and its involvement in the response to oxidative stress (77 visite)
Limauro D, Pedone E, Pirone L, Bartolucci S
Febs Journal (ISSN: 1742-464x), 2006 Feb; 273(4): 721-731.
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* Development and characterization of an integrated silicon micro flow cytometer (60 visite)
Bernini E De Nuccio R, Brescia F, Minardo A, Zeni L, Sarro PM, Palumbo R, Scarf MR
Analytical And Bioanalytical Chemistry (ISSN: 1618-2642), 2006; 386(5): 1267-1272.
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* In Situ Ap/Maldi-Ms Characterization Of Anchored Mmps (69 visite)
Grasso G, Fragai M, Rizzarelli E, Spoto G, Yeo KJ
J Mass Spectrom, 2006; 41: 1561-1569.
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* Spectroscopic characterization of PEG-amylin derivatives (72 visite)
Impellizzeri G, La Mendola D, Magrì A, Maccarrone G, Pappalardo G, Rizzarelli E
Understanding Biology Using Peptides, 2006; N/D: N/D-N/D.
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* Targeting angiogenesis: Structural characterization and biological properties of a de novo engineered VEGF mimicking peptide (105 visite)
D'Andrea LD, Iaccarino G, Fattorusso R, Sorriento D, Carannante C, Capasso D, Trimarco B, Pedone C
Proc Natl Acad Sci U S A (ISSN: 0027-8424, 1091-6490, 0027-8424print), 2005 Oct 4; 102(40): 14215-14220.
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* Characterization of a novel RGD-containing peptide with improved selectivity for imaging alpha v beta 3 integrin expression (89 visite)
Del Vecchio S, Zannetti A, Del Gatto A, Grieco P, Iommelli F, Zaccaro L, Panico M, Saviano M, Blystone SD, Pedone C, Salvatore M
Eur J Nucl Med Mol Imaging (ISSN: 1619-7070, 1619-7089, 0340-6997), 2005 Sep; 32: N/D-N/D.
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* Artificial di-iron proteins: solution characterization of four helix bundles containing two distinct types of inter-helical loops (53 visite)
Maglio O, Nastri F, Calhoun JR, Lahr S, Wade H, Pavone V, Degrado WF, Lombardi A
J Biol Inorg Chem (ISSN: 0949-8257print, 0949-8257linking, 1432-1327electronic), 2005 Aug; 10(5): 539-549.
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* The importance of dynamic effects on the enzyme activity: X-ray structure and molecular dynamics of onconase mutants (86 visite)
Merlino A, Mazzarella L, Carannante A, Di Fiore A, Di Donato A, Notomista E, Sica F
J Biol Chem Journal Of Biological Chemistry (ISSN: 0021-9258, 1083-351x), 2005 May 6; 280(18): 17953-17960.
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* Insight into ribonuclease A domain swapping by molecular dynamics unfolding simulations (72 visite)
Esposito L, Daggett V
Biochemistry (ISSN: 0006-2960, 1520-4995, 1520-4995electronic), 2005 Mar 8; 44(9): 3358-3368.
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* Open interface and large quaternary structure movements in 3D domain swapped proteins: Insights from molecular dynamics simulations of the C-terminal swapped dimer of ribonuclease (101 visite)
Merlino A, Ceruso MA, Vitagliano L, Mazzarella L
Biophysical Journal (ISSN: 0006-3495, 1542-0086), 2005 Mar; 88(3): 2003-2012.
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* Expression, purification and partial characterization of the Krüppel-associated box (KRAB) from the human ZNF2 protein (66 visite)
Rivieccio V, Mannini R, Concilio L, D'Auria S, Pedone C, Grimaldi G
Protein And Peptide Letters (ISSN: 0929-8665, 1875-5305), 2005; 12(6): 527-532.
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* Spectroscopic characterization of PEG amylin derivatives (76 visite)
La Mendola D, Magrì A, Pappalardo G, Impellizzeri G, Maccarrone G, Rizzarelli E
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2005; 80(4): N/D-N/D.
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* Structural Characterization Of Functionalized B-Cyclodestrins (78 visite)
Saviano M, Vitale RM, Pedone C, Iacovino R, La Mendola D, Pappalardo G, Vecchio G, Rizzarelli E
Acta Crystallogr D Biol Crystallogr, 2005; N/D: N/D-N/D.
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* Structural Characterization Of The Oxidation Pathway Of Antarctic Fish Hemoglobins (62 visite)
Vitagliano L, Bonomi G, Franzese M, Merlino A, Vergara A, Verde C, Di Prisco G, Mazzarella L
Acta Crystallogr D Biol Crystallogr, 2005; N/D: N/D-N/D.
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* Checking the pH-induced conformational transition of prion protein by molecular dynamics simulations: Effect of protonation of histidine residues (88 visite)
Langella E, Improta R, Barone V
Biophysical Journal (ISSN: 0006-3495, 1542-0086), 2004 Dec; 87(6): 3623-3632.
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* Imino acids and collagen triple helix stability: Characterization of collagen-like polypeptides containing Hyp-Hyp-Gly sequence repeats (75 visite)
Berisio R, Granata V, Vitagliano L, Zagari A
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126), 2004 Sep 22; 126(37): 11402-11403.
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* Imino acids and collagen triple helix stability: characterization of collagen-like polypeptides containing Hyp-Hyp-Gly sequence repeats (76 visite)
Berisio R, Granata V, Vitagliano L, Zagari A
J Am Chem Soc (ISSN: 0002-7863print, 0002-7863linking), 2004 Sep 22; 126(37): 11402-11403.
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* A molecular dynamics study on the conformational stability of PrP 180-193 helix II prion fragment (75 visite)
Pappalardo M, Milardi D, La Rosa C, Zannoni C, Rizzarelli E, Grasso D
Chemical Physics Letters (ISSN: 0009-2614), 2004 Jun 1; 390(4-6): 511-516.
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* Synthesis and characterization of a sulfated and a non-sulfated cyclic CCK8 analogue functionalized with a chelating group for metal labelling (66 visite)
De Luca S, Morelli G
J Pept Sci (ISSN: 1075-2617, 1099-1387, 1075-2617print), 2004 May; 10(5): 265-273.
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* Characterization of Collagen-Like Heterotrimers: Implications for Triple-Helix Stability (90 visite)
Berisio R, Granata V, Vitagliano L, Zagari A
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2004 Apr 15; 73(6): 682-688.
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* In vitro and in vivo characterization of Indium-111 and Technetium-99m labeled CCK-8 derivatives for CCK-B receptor imaging (85 visite)
Aloj L, Panico M, Caraco C, Del Vecchio S, Arra C, Affuso A, Accardo A, Mansi R, Tesauro D, De Luca S, Pedone C, Visentin R, Mazzi U, Morelli G, Salvatore M
Cancer Biotherapy And Radiopharmaceuticals (ISSN: 1084-9785, 1084-4978), 2004 Feb; 19(1): 93-98.
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* Characterization of multicomponent aggregate containing a bioactive peptide and a Gd complex (58 visite)
Accardo A, Tesauro D, Roscigno P, Paduano L, Gianolio E, Morelli G, Benedetti E
Peptide Revolution, 2004; N/D: N/D-N/D.
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* Criteria for the design and biological characterization of radiolabeled peptide-based pharmaceuticals (164 visite)
Benedetti E, Morelli G, Accardo A, Mansi R, Tesauro D, Aloj L
Biodrugs (ISSN: 1173-8804), 2004; 18(5): 279-295.
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* Imaging characterization of non-hypersecreting adrenal masses. Comparison between MR and radionuclide techniques (93 visite) (PDF 98 visite)
Maurea S, Caracò C, Klain M, Mainolfi C, Salvatore M
Q J Nucl Med Mol Imaging (ISSN: 1824-4785, 1824-4478, 1824-4785linking), 2004; 48(3): 188-197.
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* Peptide-chelating agent conjugate for selective targeting of somatostatin receptor type 1: Synthesis and characterization (92 visite)
Mansi R, Tesauro D, De Capua A, Fattorusso R, Carac C, Aloj L, Benedetti E, Morelli G
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2004; 76(6): 527-534.
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* Free energy perturbation and molecular dynamics calculations of copper binding to azurin (80 visite)
Pappalardo M, Milardi D, Grasso DM, La Rosa C
J Comput Chem (ISSN: 0192-8651, 1096-987xelectronic), 2003 Apr 30; 24(6): 779-785.
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* Global and local motions in ribonuclease A: A molecular dynamics study (78 visite)
Merlino A, Vitagliano L, Ceruso M, Di Nola A, Mazzarella L
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2002 Nov 15; 65(4): 274-283.
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* Characterization of melanoidins from a glucose-glycine model system (70 visite)
Borrelli RC, Fogliano V, Monti SM, Ames JM
Eur Food Res Technol (ISSN: 1438-2377), 2002 Sep; 215(3): 210-215.
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* Characterization of 111In labeled CCK8 peptide coupled to a novel DTPA-like derivative in CCK-B receptor overexpressing cells (71 visite)
Aloj L, Zannetti A, Caraco C, Del Vecchio S, Tasauro D,  De Luca S, Brunetti A, Aime S, Morelli G, Pedone C
Eur J Nucl Med Mol Imaging (ISSN: 0340-6997, 1619-7070, 1619-7089), 2001 Sep; 28(8): N/D-N/D.
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* Characterization of phenolic compounds in virgin olive oil and their effect on the formation of carcinogenic/mutagenic heterocyclic amines in a model system (71 visite)
Monti SM, Ritieni A, Sacchi R, Skog K, Borgen E, Fogliano V
J Agric Food Chem (ISSN: 0021-8561), 2001 Sep; 49(8): 3969-3975.
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* Synthesis and solution characterization of a porphyrin-CCK8 conjugate (71 visite)
De Luca S, Tesauro D, Di Lello P, Fattorusso R, Saviano M, Pedone C, Morelli G
J Pept Sci (ISSN: 1075-2617, 1099-1387, 1075-2617print), 2001 Jul; 7(7): 386-394.
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* Structural and kinetic characterization of native laccases from Pleurotas ostreatus, Rigidoporus lignosus, and Trametes trogii (64 visite)
Garzillo AM, Colao MC, Buonocore V, Oliva R, Falcigno L, Saviano M, Santoro AM, Zappala R, Bonomo RP, Bianco C, Giardina P, Palmieri G, Sannia G
Journal Of Protein Chemistry (ISSN: 0277-8033), 2001 Apr; 20(3): 191-201.
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* Scintimammography with Tc-99m-MIBI versus dynamic MRI for non-invasive characterization of breast masses (113 visite)
Imbriaco M, Del Vecchio S, Riccardi A, Pace L, Di Salle F, Di Gennaro F, Salvatore M, Sodano A
Eur J Nucl Med Mol Imaging (ISSN: 1619-7070, 1619-7089, 0340-6997), 2001 Jan; 28(1): 56-63.
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Chemical characterization of Sicilian prickly pear (Opuntia ficus indica) and perspectives for the storage of its juice (91 visite)
Gurrieri S, Miceli L, Lanza CM, Tomaselli F, Bonomo RP, Rizzarelli E
J Agric Food Chem (ISSN: 0021-8561), 2000 Nov; 48(11): 5424-5431.
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MS-2 fibrosarcoma characterization by laser induced autofluorescence (65 visite)
Colasanti A, Kisslinger A, Fabbrocini G, Liuzzi R, Quarto M, Riccio P, Roberti G, Villani F
Lasers Surg Med (ISSN: 0196-8092print, 0196-8092linking), 2000; 26(5): 441-448.
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[The identification of the criteria of malignancy and the tissue characterization of expansive processes in periskeletal soft tissues. The current role of magnetic resonance] (70 visite)
Cappabianca S, De Luca AM, Iscaro FM, Sirignano C, Cantarella R, Del Vecchio W, Grassi R
Radiol Med (ISSN: 0033-8362, 1826-6983, 1826-6983electronic), 1999 Sep; 98(3): 127-132.
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Abdominal Mass In Childhood: Characterization With Fine Needle Percutaneous Biopsy Guided With Computerized Tomography (59 visite)
Marano I, Soscia E, Salvatore M
Radiol Med, 1999 Apr; 97(4): 251-255.
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Developing Synthetic Hemoprotein Mimetics: Design, Synthesis and Characterization of Heme-Peptide Conjugates (64 visite)
Lombardi A, Nastri F, D'Andrea LD, Maglio O, D'Auria G, Pedone C, Pavone V
Peptides - Frontiers Of Peptide Science, 1999; ConferenceBook: 91-93.
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Conformational Characterization Of Peptides Rich In The Cycloaliphatic C Alpha, Alpha-Disubstituted Glycine 1-Aminocyclononane-1-Carboxylic Acid (84 visite)
Gatos M, Formaggio F, Crisma M, Valle G, Toniolo C, Bonora GM, Saviano M, Iacovino R, Menchise V, Galdiero S, Pedone C, Benedetti E
J Pept Sci (ISSN: 1075-2617, 1099-1387, 1075-2617print), 1997 Sep; 3(5): 367-382.
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β-Amino acid residues: Conformational characterization of an N- and C-protected homo-β-(S)-leucine (58 visite)
Benedetti E, Iacovino R, Pedone C, Rossi F, Saviano M, Isernia C, Montesarchio D, DeNapoli L, Piccialli G
International Journal Of Peptide Research And Therapeutics (ISSN: 0929-5666, 1573-3149), 1997 Jun; 4(3): 129-134.
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Characterization of adrenal tumors using F-18 FDG PET imaging: Comparison between benign and malignant lesions (113 visite) (PDF 98 visite)
Maurea S, Mainolfi C, Bazzicalupo L, Panico M, Imparato C, Alfano B, Ziviello M, Salvatore M
Journal Of Nuclear Medicine (ISSN: 0161-5505, 1535-5667, 1535-5667electronic), 1997 May; 38(5SUPPL.): 25-29.
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Hemoprotein models based on a covalent helix-heme-helix sandwich: 1. Design, synthesis, and characterization (72 visite)
Nastri F, Lombardi A, Morelli G, Maglio O, D'Auria G, Pedone C, Pavone V
Chemistry (ISSN: 0947-6539, 1521-3765, 1521-3765electronic), 1997; 3(3): 340-349.
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Hemoprotein models based on a covalent helix-heme-helix sandwich: 2. Structural characterization of Co(III) mimochrome I Δ and Λ isomers (70 visite)
D'Auria G, Maglio O, Nastri F, Lombardi A, Mazzeo M, Morelli G, Paolillo L, Pedone C, Pavone V
Chemistry (ISSN: 0947-6539, 1521-3765, 1521-3765electronic), 1997; 3(3): 350-362.
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Functional characterization of brain tumors: An overview of the potential clinical value (116 visite) (PDF 101 visite)
Brunetti A, Alfano B, Soricelli A, Tedeschi E, Mainolfi C, Covelli EM, Aloj L, Panico M, Bazzicalupo L, Salvatore M
Nuclear Medicine And Biology (ISSN: 0969-8051, 0883-2897), 1996 Sep; 23(6): 699-715.
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Synthesis And Structural Characterization Of 6i, 6ii-Diamino-6i, 6ii-Dideoxy-Cyclomaltoheptaose, A Difunctionalized Beta-Cyclodextrin (76 visite)
Di Blasio B, Galdiero S, Saviano M, Pedone C, Benedetti E, Rizzarelli E, Pedotti S, Vecchio G, Gibbons WA
Carbohydr Res, 1996 Feb 28; 282(1): 41-52.
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A Platinum(II) Diamino-β-cyclodextrin Complex: A Crystallographic and Solution Study. Synthesis and Structural Characterization of a Platinum(II) Complex of 6A, 6B-Diamino-6A, 6B-dideoxycyclomaltoheptaose (73 visite)
Cucinotta V, Grasso G, Pedotti S, Rizzarelli E, Vecchio G, Di Blasio B, Isernia C, Saviano M, Pedone C
Inorg Chem (ISSN: 0020-1669, 1520-510x, 1520-510xelectronic), 1996; 35(26): 7535-7540.
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Characterization of the mucins produced by normal human colonocytes in primary culture (61 visite)
Latella G, Fonti R, Caprilli R, Marcheggiano A, Magliocca F, Das KM, Gambús G, Sambuy Y
International Journal Of Colorectal Disease (ISSN: 0179-1958, 0179-1958linking), 1996; 11(2): 76-83.
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Functionalized cyclodextrins: Synthesis and structural characterization of 6-deoxy-6-{4-[N-tert-butoxycarbonyl-2-aminoethyl]-imidazolyl}-cyclomaltoheptaose (78 visite)
Di Blasio B, Galdiero S, Saviano M, De Simone G, Benedetti E, Pedone C, Gibbons WA, Deschenaux R, Rizzarelli E, Vecchio G
Supramol Chem Supramolecular Chemistry (ISSN: 1061-0278), 1996; 7(1): 47-54.
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IN-VITRO RECEPTOR IMAGING FOR CHARACTERIZATION OF HUMAN SOLID TUMORS (71 visite)
Del Vecchio S, Stoppelli MP, Carriero MV, Fonti R, Massa O, Li PY, Botti G, Cerra M, D'Aiuto G, Esposito G, Salvatore M
Nuclear Medicine And Biology (ISSN: 0883-2897, 0969-8051), 1994 Jul; 21(5): 771-774.
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Multiparametric characterization of lesions of the white matter in multiple sclerosis patients (59 visite)
BRUNETTI A, TEDESCHI G, ALFANO B, DICOSTANZO A, ALOJ L, ARPAIA M, COVELLI E, BONAVITA S, SALVATORE M
Neuroradiology 1994, 1994; N/D: N/D-N/D.
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METABOLIC CHARACTERIZATION OF CEREBRAL METASTASIS USING MR PROTON SPECTROSCOPY (67 visite)
BRUNETTI A, ALFANO B, STEFANO M, CARACO C, ARPAIA M, BRUNI G, ELMO M, COVELLI E, FREZZA P, SALVATORE M
Neuroradiology 1993, 1993; N/D: N/D-N/D.
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Thermodynamic and Spectroscopic Characterization, and in vitro O2- Scavenger Activity of Copper(II) Complexes with Glycyl-L-histidyl-glycyl-L-histidine (67 visite)
Bonomo RP, Bonsignore F, Conte E, Impellizzeri G, Pappalardo G, Purrello R, Rizzarelli E
J Chem Soc (ISSN: 1364-5447), 1993; 8: 1295-1300.
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Isolation and characterization of human embryonic osteoblasts (56 visite)
Oliva A, Marrone G, Della Ragione F, Riccio V, Palumbo R, Rossano F, Zappia V
Calcif Tissue Int (ISSN: 0171-967xprint, 0171-967xlinking), 1992 Nov; 51(5): 356-362.
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Molecular dynamics simulation in vacuo and in solution of [Aib5, 6-D- Ala8] Cyclolinopeptide A: A conformational and comparative study (66 visite)
Saviano M, Rossi F, Pavone V, Di Blasio B, Pedone C
J Biomol Struct Dyn (ISSN: 0739-1102, 1538-0254electronic, 0739-1102linking), 1992 Jun; 9(6): 1045-1060.
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MENSTRUAL EPILEPSY - DIAGNOSTIC CHARACTERIZATION BY POSITRON EMISSION TOMOGRAPHY AND QUANTITATIVE EEG (71 visite)
BRUNETTI A, TEDESCHI G, SORICELLI A, SALVIA S, ALFANO B, COVELLI E, ALOJ L, BONAVITA V, SALVATORE M
Neuroradiologia 1992 Vol Ii, 1992; N/D: N/D-N/D.
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Studies on gliadin related peptides. I. Synthesis, purification and 1H n. m. r. characterization of the pentapeptide H-Tyr-(Gln)3-Pro-OH (68 visite)
Pavone V, Rossi F, Pucci P, Andini S, Ferrara L, Di Blasio B, Pedone C
Int J Pept Protein Res (ISSN: 0367-8377, 0367-8377print), 1983 Oct; 22(4): 482-488.
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174 Records (157 escludendo Abstract e Conferenze).
Impact factor totale: 545.593 (507.044 escludendo Abstract e Conferenze).
Impact factor a 5 anni totale: 607.178 (534.817 escludendo Abstract e Conferenze).

Interrogazione bibliografica effettuata: ([btitle] "Neurodegeneration" OR [btitle] "neurotrophins" OR [btitle] "molecular dynamics" OR [btitle] "amyloid-like fibers" OR [btitle] "Characterization")






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