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Control of metalloprotein reduction potential: the role of electrostatic and solvation effects probed on plastocyanin mutants.Novel potent and selective central 5-HT3 receptor ligands provided with different intrinsic efficacy. 1. Mapping the central 5-HT3 receptor binding site by arylpiperazine derivatives.Computational approaches to structural and functional analysis of plastocyanin and other blue copper proteins.Novel route to chaetomellic acid A and analogues: serendipitous discovery of a more competent FTase inhibitor.Progress towards the identification of new aggrecanase inhibitors.Bivalent Ligands for the Serotonin 5-HT3 Receptor.Computational Insights into ADAMTS4, ADAMTS5 and MMP13 Inhibitor Selectivity.Properties of zinc releasing surfaces for clinical applications.Accurate First-Principle Prediction of (29)Si and (17)O NMR Parameters in SiO2 Polymorphs: The Cases of Zeolites Sigma-2 and Ferrierite.Development of an IL-6 antagonist peptide that induces apoptosis in 7TD1 cells.Exploring a potential palonosetron allosteric binding site in the 5-HT(3) receptor.Computational analysis of ligand recognition sites of homo- and heteropentameric 5-HT3 receptors.Extension of the AMBER force-field for the study of large nitroxides in condensed phases: an ab initio parameterization.Multinuclear NMR of CaSiO(3) glass: simulation from first-principles.Mapping and fitting the peripheral benzodiazepine receptor binding site by carboxamide derivatives. Comparison of different approaches to quantitative ligand-receptor interaction modeling.Novel potent 5-HT(3) receptor ligands based on the pyrrolidone structure: synthesis, biological evaluation, and computational rationalization of the ligand-receptor interaction modalities.Novel potent 5-HT(3) receptor ligands based on the pyrrolidone structure. Effects of the quaternization of the basic nitrogen on the interaction with 5-HT(3) receptor.Approaching the 5-HT₃ receptor heterogeneity by computational studies of the transmembrane and intracellular domains.Synthesis, biological evaluation, and quantitative receptor docking simulations of 2-[(acylamino)ethyl]-1,4-benzodiazepines as novel tifluadom-like ligands with high affinity and selectivity for kappa-opioid receptors.Synthesis, biological evaluation, and receptor docking simulations of 2-[(acylamino)ethyl]-1,4-benzodiazepines as kappa-opioid receptor agonists endowed with antinociceptive and antiamnesic activity.The extracellular subunit interface of the 5-HT3 receptors: a computational alanine scanning mutagenesis study.Design, synthesis, structural studies, biological evaluation, and computational simulations of novel potent AT(1) angiotensin II receptor antagonists based on the 4-phenylquinoline structure.Modeling emission features of salicylidene aniline molecular crystals: A QM/QM' approach.Further studies on the interaction of the 5-hydroxytryptamine3 (5-HT3) receptor with arylpiperazine ligands. development of a new 5-HT3 receptor ligand showing potent acetylcholinesterase inhibitory properties.Theoretical quantitative structure-activity relationships of flavone ligands interacting with cytochrome P450 1A1 and 1A2 isozymes.Computational Protocol for Modeling Thermochromic Molecular Crystals: Salicylidene Aniline As a Case Study.Computer modeling of size and shape descriptors of alpha 1-adrenergic receptor antagonists and quantitative structure-affinity/selectivity relationships.Computational Insight into the Interaction of Cytochrome C with Wet and PVP-Coated Ag Surfaces.Synthesis, Characterization, and Selective Delivery of DARPin-Gold Nanoparticle Conjugates to Cancer Cells.Theoretical descriptors in quantitative structure-affinity and selectivity relationship study of potent N4-substituted arylpiperazine 5-HT1A receptor antagonists.Site-Selective Surface-Enhanced Raman Detection of Proteins.Correction to "Evidence of Catalase Mimetic Activity in Ce3+/Ce4+ Doped Bioactive Glasses".Mapping the peripheral benzodiazepine receptor binding site by conformationally restrained derivatives of 1-(2-chlorophenyl)-N-methyl-N-(1-methylpropyl)-3- isoquinolinecarboxamide (PK11195).Unraveling the polymorphism of [(p-cymene)Ru(κN-INA)Cl₂] through dispersion-corrected DFT and NMR GIPAW calculations.Fluorine environment in bioactive glasses: ab initio molecular dynamics simulations.Computational insight into anti-mutagenic properties of CYP1A flavonoid ligands.A computational protocol to probe the role of solvation effects on the reduction potential of azurin mutants.On the opto-electronic properties of phosphine and thiolate-protected undecagold nanoclusters.Molecular interactions between human cytochrome P450 1A2 and flavone derivatives.Synthesis and structure-activity relationship studies in serotonin 5-HT4 receptor ligands based on a benzo[de][2,6]naphthridine scaffold.
P50
Q30328243-264B38C7-C628-4759-8E70-630C78BCC371Q34461235-2520DA59-6695-4F23-A753-1CD07B10BBCCQ35772224-26526667-3A07-4CDB-AE5C-F13DD30DFE94Q37144613-8178E5C7-1075-4E9A-94A6-158BEA005292Q37550676-D83CA2AD-DE98-4CE2-9960-AA207D87BE61Q39513495-F05E26B8-517E-4650-B171-E55DD9DE5C31Q39540092-7F0922D6-F034-4842-9A24-011E61FDEB0CQ40108818-8026D63B-341F-4B3E-9FDE-59AEB19312FEQ40260176-4295581C-979C-4AB4-BB9F-DB38D6A7096EQ40617651-426EAFFA-8F7D-4108-9A55-B8568A6F7CF9Q41885624-CE080585-2187-4049-B0AF-275E176F9EDAQ42932078-1894DC0F-2426-4761-BF4E-0B9100A26BAFQ42935824-8E7C3F6C-4992-46FA-B79D-C04911FE8006Q43444419-342E4FFC-33C1-4988-BDB0-CFF97F8862E7Q43582404-50B62E83-4C57-4214-A528-C2DCDED2DCA2Q43869153-0166AA1D-B689-4DA0-A480-24D70A44280FQ44022819-7156E107-FF62-404B-BE0F-ABF8953087DAQ44178393-71BB9718-FE7A-4CB6-AA6A-BCEFA9090356Q44341711-87A38512-1087-44D8-95C1-6750B291B9ACQ44342617-C6C883F7-523D-416C-A461-D31F38972367Q44790994-E55F77B4-4861-48C2-9F78-3011F9D5016FQ44871665-5049A21A-1BEF-48CB-977E-9100DAFA3283Q46111433-183C06E8-8E09-42D4-8D93-FEF7F234306FQ46485519-5A1F4B1B-41BC-436F-B9BF-BC32A45760B4Q46507745-BFDE4C35-B312-4168-AF35-F37257828712Q46889980-7C2DF3B1-8CE1-4488-8204-7E009DDB6CA8Q47290317-DC0DF241-CE63-41AC-B03F-D4B150266993Q47725897-5A965AE9-0D7A-40BE-B7CC-96A6166BD3C7Q47956109-B73A64BF-0112-4534-9B08-5F097D6ACDB5Q47966120-122BE4EE-F436-495D-AB73-4331BBCF5114Q48159549-30669A1D-4FB6-4CE3-A6BB-5550C8C88745Q48196439-DBAEE5A1-7B66-4A19-99A5-A8896B63F8B6Q48634673-84B99942-72F7-45C2-A55B-2BAC0278202BQ48847742-2177406B-0A7A-46E6-9C77-2961FB9BE1E0Q50067438-1BBEA3A0-B437-4939-B9E8-544AB1493BE9Q50731127-BC10DB86-9E36-4C78-8F56-19814237F364Q51960090-9F83F699-F18B-4976-B9FA-C5B83444A903Q52776681-68FF78BA-21C7-448B-8DF6-377CC583F129Q53343874-8CE4DFE9-6E5C-425F-A0AE-AD9578C7295DQ53842126-6B40183C-8F93-487B-888C-00398F4CF105
P50
description
hulumtuese
@sq
researcher
@en
wetenschapper
@nl
հետազոտող
@hy
name
Maria Cristina Menziani
@ast
Maria Cristina Menziani
@en
Maria Cristina Menziani
@es
Maria Cristina Menziani
@nl
Maria Cristina Menziani
@sl
type
label
Maria Cristina Menziani
@ast
Maria Cristina Menziani
@en
Maria Cristina Menziani
@es
Maria Cristina Menziani
@nl
Maria Cristina Menziani
@sl
prefLabel
Maria Cristina Menziani
@ast
Maria Cristina Menziani
@en
Maria Cristina Menziani
@es
Maria Cristina Menziani
@nl
Maria Cristina Menziani
@sl
P1053
H-2585-2012
P106
P1153
7003457718
P21
P2456
P31
P3829
P496
0000-0003-3428-5297