MENZIANI, Maria Cristina

MENZIANI, Maria Cristina  

Dipartimento di Scienze Chimiche e Geologiche  

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Titolo Data di pubblicazione Autore(i) File
A computational model of the 5-HT3 receptor extracellular domain: search for ligand binding sites 1-gen-2001 Menziani, Maria Cristina; DE RIENZO, Francesca; A., Cappelli; M., Anzini; DE BENEDETTI, Pier Giuseppe
A computational multiscale strategy of the study of amorphous materials 1-gen-2007 Malavasi, Gianluca; Menziani, Maria Cristina; Pedone, Alfonso; Civalleri, B; Corno, M; Ugliengo, P.
A computational protocol to probe the role of solvation effects on the reduction potential of azurin mutants 1-gen-2006 V., Barone; DE RIENZO, Francesca; E., Langella; Menziani, Maria Cristina; N., Rega; Sola, Marco
A MOLECULAR-DYNAMICS SIMULATION OF SEQUENCE-DIRECTED RECOGNITION PEPTIDES INTERACTING WITH BIGENDOTHELIN 1-gen-1993 Menziani, Maria Cristina; Cocchi, Marina; DE BENEDETTI, Pier Giuseppe
A new self-consistent empirical interatomic potential model for oxides, silicates, and silica-based glasses 1-gen-2006 Pedone, Alfonso; Malavasi, Gianluca; Menziani, Maria Cristina; An, Cormack; Segre, Ulderico
A Quantum Chemical QSAR Analysis of Carbonic Anhydrase Inhibition by Heterocyclic Sulfonamides. 1-gen-1987 DE BENEDETTI, Pier Giuseppe; Menziani, Maria Cristina; Cocchi, Marina; Frassineti, Chiara
A Quantum Chemical QSAR Study of Carbonic Anhydrase Inhibition by Sulfonamides. 1-gen-1985 DE BENEDETTI, Pier Giuseppe; Menziani, Maria Cristina; Frassineti, Chiara
A Theoretical Study of Conformation-Electronic Structure Relationships in Benzensulfonamide Inhibitors of Carbonic Anhydrase Enzyme. 1-gen-1989 DE BENEDETTI, Pier Giuseppe; Menziani, Maria Cristina; Cocchi, Marina; Frassineti, Chiara
A THEORETICAL-STUDY OF THE STRUCTURE OF BIG ENDOTHELIN 1-gen-1991 Menziani, Maria Cristina; Cocchi, Marina; DE BENEDETTI, Pier Giuseppe; Gilbert, Rg; Richards, Wg; Zamai, M; Caiolfa, Vr
Ab initio modeling and molecular dynamics simulation of the alpha 1b-adrenergic receptor activation 1-gen-1998 Fanelli, Francesca; Menziani, Maria Cristina; A., Scheer; S., Cotecchia; DE BENEDETTI, Pier Giuseppe
Accurate First-Principle Prediction of 29Si and 17O NMR Parameters in SiO2 Polymorphs: The Cases of Zeolites Sigma-2 and Ferrierite 1-gen-2008 Pedone, Alfonso; Pavone, M; Menziani, Maria Cristina; Barone, V.
Alpha 1-adrenoceptor subtype selectivity: Molecular modelling and theoretical quantitative structure-affinity relationships 1-gen-1997 DE BENEDETTI, Pier Giuseppe; Fanelli, Francesca; Menziani, Maria Cristina; Cocchi, Marina; R., Testa; A., Leonardi
An ab initio parameterized interatomic force field for hydroxyapatite 1-gen-2007 Pedone, Alfonso; M., Corno; B., Civalleri; Malavasi, Gianluca; Menziani, Maria Cristina; Segre, Ulderico; P., Ugliengo
The antioxidant properties of Ce-containing bioactive glass nanoparticles explained by Molecular Dynamics simulations 1-gen-2016 Pedone, Alfonso; Muniz Miranda, Francesco; Menziani, Maria Cristina; Tilocca, Antonio
Approaching the 5-HT3 receptor heterogeneity by computational studies of the transmembrane and intracellular domains 1-gen-2013 Marta Del, Cadia; DE RIENZO, Francesca; Menziani, Maria Cristina
Arylsulfonyl Groups: The Best Cyclization Auxiliaries for the Preparation of ATRC γ-Lactams can be Acidolytically Removed 1-gen-2014 Clark, A. J.; Cornia, Andrea; Felluga, F.; Gennaro, A.; Ghelfi, Franco; Isse, A. A.; Menziani, Maria Cristina; Muniz Miranda, F.; Roncaglia, Fabrizio; Spinelli, D.
Assessment of Density Functional Approximations for Highly Correlated Oxides: The Case of CeO2 and Ce2O3 1-gen-2018 Brugnoli, Luca; Ferrari, Anna Maria; Civalleri, Bartolomeo; Pedone, Alfonso; Menziani, Maria Cristina
Assessment of Exchange-Correlation Functionals in Reproducing the Structure and Optical Gap of Organic-Protected Gold Nanoclusters 1-gen-2014 Francesco Muniz, Miranda; Menziani, Maria Cristina; Pedone, Alfonso
Assessment of the basis set effect on the structural and electronic properties of organic-protected gold nanoclusters 1-gen-2016 MUNIZ MIRANDA, Francesco; Menziani, Maria Cristina; Pedone, Alfonso
An atomic-level look at the structure-property relationship of cerium-doped glasses using classical molecular dynamics 1-gen-2018 Pedone, Alfonso; Tavanti, Francesco; Malavasi, Gianluca; Menziani, Maria Cristina