MENZIANI, Maria Cristina
MENZIANI, Maria Cristina
Dipartimento di Scienze Chimiche e Geologiche
A computational model of the 5-HT3 receptor extracellular domain: search for ligand binding sites
2001-01-01 Menziani, Maria Cristina; DE RIENZO, Francesca; A., Cappelli; M., Anzini; DE BENEDETTI, Pier Giuseppe
A computational multiscale strategy of the study of amorphous materials
2007-01-01 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
2006-01-01 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
1993-01-01 Menziani, Maria Cristina; Cocchi, Marina; DE BENEDETTI, Pier Giuseppe
A new self-consistent empirical interatomic potential model for oxides, silicates, and silica-based glasses
2006-01-01 Pedone, Alfonso; Malavasi, Gianluca; Menziani, Maria Cristina; An, Cormack; Segre, Ulderico
A Quantum Chemical QSAR Analysis of Carbonic Anhydrase Inhibition by Heterocyclic Sulfonamides.
1987-01-01 DE BENEDETTI, Pier Giuseppe; Menziani, Maria Cristina; Cocchi, Marina; Frassineti, Chiara
A Quantum Chemical QSAR Study of Carbonic Anhydrase Inhibition by Sulfonamides.
1985-01-01 DE BENEDETTI, Pier Giuseppe; Menziani, Maria Cristina; Frassineti, Chiara
A Theoretical Study of Conformation-Electronic Structure Relationships in Benzensulfonamide Inhibitors of Carbonic Anhydrase Enzyme.
1989-01-01 DE BENEDETTI, Pier Giuseppe; Menziani, Maria Cristina; Cocchi, Marina; Frassineti, Chiara
A THEORETICAL-STUDY OF THE STRUCTURE OF BIG ENDOTHELIN
1991-01-01 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
1998-01-01 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
2008-01-01 Pedone, Alfonso; Pavone, M; Menziani, Maria Cristina; Barone, V.
Alpha 1-adrenoceptor subtype selectivity: Molecular modelling and theoretical quantitative structure-affinity relationships
1997-01-01 DE BENEDETTI, Pier Giuseppe; Fanelli, Francesca; Menziani, Maria Cristina; Cocchi, Marina; R., Testa; A., Leonardi
An ab initio parameterized interatomic force field for hydroxyapatite
2007-01-01 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
2016-01-01 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
2013-01-01 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
2014-01-01 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
2018-01-01 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
2014-01-01 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
2016-01-01 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
2018-01-01 Pedone, Alfonso; Tavanti, Francesco; Malavasi, Gianluca; Menziani, Maria Cristina
| 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 |