Maria cristina Menziani
TitleCited byYear
A new self-consistent empirical interatomic potential model for oxides, silicates, and silica-based glasses
A Pedone, G Malavasi, MC Menziani, AN Cormack, U Segre
The Journal of Physical Chemistry B 110 (24), 11780-11795, 2006
2922006
New insights into the atomic structure of 45S5 bioglass by means of solid-state NMR spectroscopy and accurate first-principles simulations
A Pedone, T Charpentier, G Malavasi, MC Menziani
Chemistry of Materials 22 (19), 5644-5652, 2010
1092010
Blue copper proteins: a comparative analysis of their molecular interaction properties
F DE RIENZO, RR Gabdoulline, MC Menziani, RC Wade
Protein Science 9 (8), 1439-1454, 2000
1082000
Insight into elastic properties of binary alkali silicate glasses; prediction and interpretation through atomistic simulation techniques
A Pedone, G Malavasi, AN Cormack, U Segre, MC Menziani
Chemistry of Materials 19 (13), 3144-3154, 2007
1072007
Strong metal–molecular support interaction (SMMSI): amine-functionalized gold nanoparticles encapsulated in silica nanospheres highly active for catalytic decomposition of …
M Yadav, T Akita, N Tsumori, Q Xu
Journal of Materials Chemistry 22 (25), 12582-12586, 2012
1022012
Theoretical investigation of substrate specificity for cytochromes P450 IA2, P450 IID6 and P450 IIIA4
F De Rienzo, F Fanelli, MC Menziani, PG De Benedetti
Journal of computer-aided molecular design 14 (1), 93-116, 2000
962000
Electrostatic analysis and Brownian dynamics simulation of the association of plastocyanin and cytochrome f
F De Rienzo, RR Gabdoulline, MC Menziani, PG De Benedetti, RC Wade
Biophysical journal 81 (6), 3090-3104, 2001
932001
Qualitative and Quantitative Structure− Property Relationships Analysis of Multicomponent Potential Bioglasses
L Linati, G Lusvardi, G Malavasi, L Menabue, MC Menziani, P Mustarelli, ...
The Journal of Physical Chemistry B 109 (11), 4989-4998, 2005
922005
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 …
A Cappelli, M Anzini, S Vomero, L Mennuni, F Makovec, E Doucet, ...
Journal of medicinal chemistry 41 (5), 728-741, 1998
891998
Design, Synthesis, Structural Studies, Biological Evaluation, and Computational Simulations of Novel Potent AT1 Angiotensin II Receptor Antagonists Based on the …
A Cappelli, G Pericot Mohr, A Gallelli, M Rizzo, M Anzini, S Vomero, ...
Journal of medicinal chemistry 47 (10), 2574-2586, 2004
882004
Synthesis, Characterization, and Molecular Dynamics Simulation Of Na2O−CaO−SiO2−ZnO Glasses
G Lusvardi, G Malavasi, L Menabue, MC Menziani
The Journal of Physical Chemistry B 106 (38), 9753-9760, 2002
882002
Elucidation of the structural role of fluorine in potentially bioactive glasses by experimental and computational investigation
G Lusvardi, G Malavasi, M Cortada, L Menabue, MC Menziani, A Pedone, ...
The Journal of Physical Chemistry B 112 (40), 12730-12739, 2008
842008
Mapping and fitting the peripheral benzodiazepine receptor binding site by carboxamide derivatives. Comparison of different approaches to quantitative ligand− receptor …
M Anzini, A Cappelli, S Vomero, M Seeber, MC Menziani, T Langer, ...
Journal of medicinal chemistry 44 (8), 1134-1150, 2001
712001
Molecular dynamics studies of stress− strain behavior of silica glass under a tensile load
A Pedone, G Malavasi, MC Menziani, U Segre, AN Cormack
Chemistry of Materials 20 (13), 4356-4366, 2008
702008
Computational insight into the effect of CaO/MgO substitution on the structural properties of phospho-silicate bioactive glasses
A Pedone, G Malavasi, MC Menziani
The Journal of Physical Chemistry C 113 (35), 15723-15730, 2009
692009
The structure of fluoride-containing bioactive glasses: new insights from first-principles calculations and solid state NMR spectroscopy
A Pedone, T Charpentier, MC Menziani
Journal of Materials Chemistry 22 (25), 12599-12608, 2012
662012
Multinuclear NMR of CaSiO 3 glass: simulation from first-principles
A Pedone, T Charpentier, MC Menziani
Physical Chemistry Chemical Physics 12 (23), 6054-6066, 2010
662010
Role of magnesium in soda-lime glasses: insight into structural, transport, and mechanical properties through computer simulations
A Pedone, G Malavasi, MC Menziani, U Segre, AN Cormack
The Journal of Physical Chemistry C 112 (29), 11034-11041, 2008
662008
FFSiOH: a new force field for silica polymorphs and their hydroxylated surfaces based on periodic B3LYP calculations
A Pedone, G Malavasi, MC Menziani, U Segre, F Musso, M Corno, ...
Chemistry of Materials 20 (7), 2522-2531, 2008
662008
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 …
A Cappelli, A Gallelli, M Manini, M Anzini, L Mennuni, F Makovec, ...
Journal of medicinal chemistry 48 (10), 3564-3575, 2005
642005
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