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Copper(I) and Copper(II) Inhibit A beta Peptides Proteolysis by Insulin-Degrading Enzyme Differently: Implications for Metallostasis Alteration in Alzheimer's Disease
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Probing The Peptidylglycine Alpha-Hydroxylating Monooxygenase Active Site With Novel 4-Phenyl-3-Butenoic Acid Based Inhibitors
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The hemoglobins of the sub-Antarctic fish Cottoperca gobio, a phyletically basal species - oxygen-binding equilibria, kinetics and molecular dynamics
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The polarizability in solution of tetra-phenyl-porphyrin derivatives in their excited electronic states: A PCM/TD-DFT study
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Insights into stability and toxicity of amyloid-like oligomers by replica exchange molecular dynamics analyses
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Castiglione M, Calafiore M, Costa L, Sortino MA, Nicoletti F, Copani A
Group I metabotropic glutamate receptors control proliferation, survival and differentiation of cultured neural progenitor cells isolated from the subventricular zone of adult mice
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Effective method for the computation of optical spectra of large molecules at finite temperature including the Duschinsky and Herzberg-Teller effect: The Qx band of porphyrin as a case study
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Insights into structure, stability, and toxicity of monomeric and aggregated polyglutamine models from molecular dynamics simulations
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Unveiling the role of histidine and tyrosine residues on the conformation of the avian prion hexarepeat domain
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Galderisi S, Quarantelli M, Volpe U, Mucci A, Cassano GB, Invernizzi G, Rossi A, Vita A, Pini S, Cassano P, Daneluzzo E, De Peri L, Stratta P, Brunetti A, Maj M
Patterns of structural MRI abnormalities in deficit and nondeficit schizophrenia
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Paladino A, Costantini S, Colonna G, Facchiano AM
Molecular modelling of miraculin: Structural analyses and functional hypotheses
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Structure, dynamics, and stability of assemblies of the human prion fragment SNQNNF
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Goldfine ID, Maddux BA, Youngren JF, Reaven G, Accili D, Trischitta V, Vigneri R, Frittitta L
The role of membrane glycoprotein plasma cell antigen 1 ectonucleotide pyrophosphatase phosphodiesterase 1 in the pathogenesis of insulin resistance and related abnormalities
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Staiano M, Saviano M, Herman P, Grycznyski Z, Fini C, Varriale A, Parracino A, Kold AB, Rossi M, D'Auria S
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
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Vergara A, Franzese M, Merlino A, Vitagliano L, Verde C, Di Prisco G, Lee HC, Peisach J, Mazzarella L
Structural characterization of ferric hemoglobins from three Antarctic fish species of the suborder notothenioidei
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Effective method to compute vibrationally resolved optical spectra of large molecules at finite temperature in the gas phase and in solution
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Chambery A, Pisante M, Di Maro A, Di Zazzo E, Ruvo M, Costantini S, Colonna G, Parente A
Invariant Ser211 is involved in the catalysis of PD-L4, type I RIP from Phytolacca dioica leaves
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Solvent effect on the singlet excited-state lifetimes of nucleic acid bases: A computational study of 5-fluorouracil and uracil in acetonitrile and water
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Molecular dynamics analyses of cross-beta-spine steric zipper models: beta-sheet twisting and aggregation
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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
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Alterio V, Vitale RM, Monti SM, Pedone C, Scozzafava A, Cecchi A, De Simone G, Supuran CT
Carbonic anhydrase inhibitors: X-ray and molecular modeling study for the interaction of a fluorescent antitumor sulfonamide with isozyme II and IX
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Polyglutamine Repeats And Beta-Helix Structure: Molecular Dynamics Study
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Del Guerra A, Bartoli A, Belcari N, Herbert D, Motta A, Vaiano A, Di Domenico G, Sabba N, Moretti E, Zavattini G, Lazzarotti M, Sensi L, Larobina M
Performance evaluation of the fully engineered YAP-(S)PET scanner for small animal imaging
Ieee Transactions On Nuclear Science (ISSN: 0018-9499), 2006 Jun; 53(3): 1078-1083.
Galdiero S, Vitiello M, Amodeo P, D'Isanto M, Cantisani M, Pedone C, Galdiero M
Structural requirements for proinflammatory activity of porin P2 loop 7 from Haemophilus influenzae
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Conformation analysis of aspartame-based sweeteners by NMR spectroscopy, molecular dynamics simulations, and X-ray diffraction studies
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Singlet excited-state behavior of uracil and thymine in aqueous solution: A combined experimental and computational study of 11 uracil derivatives
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Palmieri V, Storto G, Arezzi E, Pellegrino T, Mancini M, Di Minno G, Ferrara AL, Cuocolo A, Celentano A
Relations of left ventricular mass and systolic function to endothelial function and coronary flow reserve in healthy, new discovered hypertensive subjects
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Temperature-, SDS-, and pH-induced conformational changes in protein disulfide oxidoreductase from the archaeon Pyrococcus furiosus: A dynamic simulation and fourier transform infrared spectroscopic study
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Colao A, Di Somma C, Cuocolo A, Spinelli L, Acampa W, Spiezia S, Rota F, Savanelli MC, Lombardi G
Does a gender-related effect of growth hormone (GH) replacement exist on cardiovascular risk factors, cardiac morphology, and performance and atherosclerosis? Results of a two-year open, prospective study in young adult men and women with severe GH deficiency
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Conformational Analysis Of Novel Heparin Binding Peptides
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Merlino A, Mazzarella L, Carannante A, Di Fiore A, Di Donato A, Notomista E, Sica F
The importance of dynamic effects on the enzyme activity: X-ray structure and molecular dynamics of onconase mutants
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Insight into ribonuclease A domain swapping by molecular dynamics unfolding simulations
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Molecular mechanism of the inhibition of cytochrome c aggregation by Phe-Gly
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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
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Understanding Electron Transfer across Negatively-Charged Aib Oligopeptides
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Structural And Dynamic Effects Of Alpha-Helix Deletion In Sso7d: Implications For Protein Thermal Stability
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Checking the pH-induced conformational transition of prion protein by molecular dynamics simulations: Effect of protonation of histidine residues
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Vitale RM, Pedone C, De Benedetti PG, Fanelli F
Structural features of the inactive and active states of the melanin-concentrating hormone receptors: Insights from molecular simulations
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Merlino A, Vitagliano L, Ceruso MA, Mazzarella L
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Quarantelli M, Berkouk K, Prinster A, Landeau B, Svarer C, Balkay L, Alfano B, Brunetti A, Baron JC, Salvatore M
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Del Guerra A, Bartoli A, Belcari N, Herbert D, Motta A, Vaiano A, Di Domenico G, Sabba N, Moretti E, Zavattini G, Lazzarotti M, Sensi L, Larobina M
Performance evaluation of the fully engineered YAP-(S)PET scanner for small animal imaging
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Subtle functional collective motions in pancreatic-like ribonucleases: From ribonuclease A to angiogenin
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Free energy perturbation and molecular dynamics calculations of copper binding to azurin
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