| The VEGA suite of programs: An versatile platform for cheminformatics and drug design projects A Pedretti, A Mazzolari, S Gervasoni, L Fumagalli, G Vistoli Bioinformatics 37 (8), 1174-1175, 2021 | 122 | 2021 |
| GLORYx: prediction of the metabolites resulting from phase 1 and phase 2 biotransformations of xenobiotics C de Bruyn Kops, M Šícho, A Mazzolari, J Kirchmair Chemical research in toxicology 34 (2), 286-299, 2020 | 78 | 2020 |
| FAME 3: predicting the sites of metabolism in synthetic compounds and natural products for phase 1 and phase 2 metabolic enzymes M Šícho, C Stork, A Mazzolari, C de Bruyn Kops, A Pedretti, B Testa, ... Journal of chemical information and modeling 59 (8), 3400-3412, 2019 | 76 | 2019 |
| In silico prediction of human carboxylesterase-1 (hCES1) metabolism combining docking analyses and MD simulations G Vistoli, A Pedretti, A Mazzolari, B Testa Bioorganic & medicinal chemistry 18 (1), 320-329, 2010 | 57 | 2010 |
| Homology modeling and metabolism prediction of human carboxylesterase-2 using docking analyses by GriDock: a parallelized tool based on AutoDock 4.0 G Vistoli, A Pedretti, A Mazzolari, B Testa Journal of computer-aided molecular design 24, 771-787, 2010 | 53 | 2010 |
| Quenching activity of carnosine derivatives towards reactive carbonyl species: Focus on α−(methylglyoxal) and β−(malondialdehyde) dicarbonyls G Vistoli, M Colzani, A Mazzolari, E Gilardoni, C Rivaletto, M Carini, ... Biochemical and biophysical research communications 492 (3), 487-492, 2017 | 41 | 2017 |
| Pharmacokinetic profile of bilberry anthocyanins in rats and the role of glucose transporters: LC–MS/MS and computational studies G Baron, A Altomare, L Regazzoni, V Redaelli, S Grandi, A Riva, ... Journal of Pharmaceutical and Biomedical Analysis 144, 112-121, 2017 | 35 | 2017 |
| Binding space concept: a new approach to enhance the reliability of docking scores and its application to predicting butyrylcholinesterase hydrolytic activity G Vistoli, A Mazzolari, B Testa, A Pedretti Journal of chemical information and modeling 57 (7), 1691-1702, 2017 | 34 | 2017 |
| The (Re)-Evolution of Quantitative Structure–Activity Relationship (QSAR) studies propelled by the surge of machine learning methods TA Soares, A Nunes-Alves, A Mazzolari, F Ruggiu, GW Wei, K Merz Journal of Chemical Information and Modeling 62 (22), 5317-5320, 2022 | 28 | 2022 |
| Progress towards the first measurement of charm baryon dipole moments S Aiola, L Bandiera, G Cavoto, F De Benedetti, J Fu, V Guidi, L Henry, ... Physical Review D 103 (7), 072003, 2021 | 27 | 2021 |
| Insights into the structural determinants required for high-affinity binding of chiral cyclopropane-containing ligands to α4β2-nicotinic acetylcholine receptors: an integrated … HK Zhang, JB Eaton, LF Yu, M Nys, A Mazzolari, R Van Elk, AB Smit, ... Journal of medicinal chemistry 55 (18), 8028-8037, 2012 | 26 | 2012 |
| MetaQSAR: an integrated database engine to manage and analyze metabolic data A Pedretti, A Mazzolari, G Vistoli, B Testa Journal of medicinal chemistry 61 (3), 1019-1030, 2018 | 22 | 2018 |
| Computational approaches in the rational design of improved carbonyl quenchers: focus on histidine containing dipeptides G Vistoli, M Colzani, A Mazzolari, DD Maddis, G Grazioso, A Pedretti, ... Future Medicinal Chemistry 8 (14), 1721-1737, 2016 | 21 | 2016 |
| Structural Effects of Some Relevant Missense Mutations on the MECP2‐DNA Binding: A MD Study Analyzed by Rescore+, a Versatile Rescoring Tool of the VEGA ZZ Program A Pedretti, C Granito, A Mazzolari, G Vistoli Molecular Informatics 35 (8-9), 424-433, 2016 | 19 | 2016 |
| Influence of ionization state on the activation of temocapril by hCES1: a molecular‐dynamics study G Vistoli, A Pedretti, A Mazzolari, C Bolchi, B Testa Chemistry & biodiversity 6 (11), 2092-2100, 2009 | 19 | 2009 |
| A capture method based on the VC1 domain reveals new binding properties of the human receptor for advanced glycation end products (RAGE) G Degani, AA Altomare, M Colzani, C Martino, A Mazzolari, G Fritz, ... Redox Biology 11, 275-285, 2017 | 18 | 2017 |
| The replacement of the 2-methoxy substituent of N-((6, 6-diphenyl-1, 4-dioxan-2-yl) methyl)-2-(2-methoxyphenoxy) ethan-1-amine improves the selectivity for 5-HT1A receptor over … F Del Bello, A Bonifazi, M Giannella, G Giorgioni, A Piergentili, R Petrelli, ... European Journal of Medicinal Chemistry 125, 233-244, 2017 | 18 | 2017 |
| Rescoring and linearly combining: a highly effective consensus strategy for virtual screening campaigns A Pedretti, A Mazzolari, S Gervasoni, G Vistoli International Journal of Molecular Sciences 20 (9), 2060, 2019 | 17 | 2019 |
| Hempseed (Cannabis sativa) Peptide H3 (IGFLIIWV) Exerts Cholesterol-Lowering Effects in Human Hepatic Cell Line J Li, C Bollati, M Bartolomei, A Mazzolari, A Arnoldi, G Vistoli, C Lammi Nutrients 14 (9), 1804, 2022 | 14 | 2022 |
| Mode of interaction of 1, 4-dioxane agonists at the M2 and M3 muscarinic receptor orthosteric sites F Del Bello, A Bonifazi, W Quaglia, A Mazzolari, E Barocelli, S Bertoni, ... Bioorganic & Medicinal Chemistry Letters 24 (15), 3255-3259, 2014 | 13 | 2014 |
