| 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 | 630 | 2006 |
| 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 | 170 | 2007 |
| 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 | 169 | 2000 |
| 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 | 168 | 2010 |
| 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 | 150 | 2008 |
| Evidence of Catalase Mimetic Activity in Ce3+/Ce4+ Doped Bioactive Glasses V Nicolini, E Gambuzzi, G Malavasi, L Menabue, MC Menziani, ... The Journal of Physical Chemistry B 119 (10), 4009-4019, 2015 | 140 | 2015 |
| 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 | 135 | 2008 |
| 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 | 123 | 2009 |
| 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 | 115 | 2005 |
| 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 | 112 | 2008 |
| 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 | 112 | 2002 |
| 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 | 110 | 2001 |
| Site-selective surface-enhanced Raman detection of proteins P Matteini, M Cottat, F Tavanti, E Panfilova, M Scuderi, G Nicotra, ... Acs Nano 11 (1), 918-926, 2017 | 108 | 2017 |
| Computational simulations of solid state NMR spectra: a new era in structure determination of oxide glasses T Charpentier, MC Menziani, A Pedone Rsc Advances 3 (27), 10550-10578, 2013 | 106 | 2013 |
| 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 | 105 | 2012 |
| 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, 93-116, 2000 | 105 | 2000 |
| 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 | 103 | 2004 |
| 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 | 96 | 1998 |
| Competitive binding of proteins to gold nanoparticles disclosed by molecular dynamics simulations F Tavanti, A Pedone, MC Menziani The Journal of Physical Chemistry C 119 (38), 22172-22180, 2015 | 95 | 2015 |
| Quantitative structure− property relationships of potentially bioactive fluoro phospho-silicate glasses G Lusvardi, G Malavasi, F Tarsitano, L Menabue, MC Menziani, A Pedone The Journal of Physical Chemistry B 113 (30), 10331-10338, 2009 | 92 | 2009 |
Gianluca MALAVASIDepartement of Chemical and Geological Sciences - UNIMOREE-mailová adresa ověřena na: unimore.it
