MENZIANI, Maria Cristina

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Afferenza

Dipartimento di Scienze Chimiche e Geologiche

Pubblicazioni

Risultati 1 - 20 di 196 (tempo di esecuzione: 0.001 secondi).

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