| Simple, intuitive calculations of free energy of binding for protein− ligand complexes. 1. Models without explicit constrained water P Cozzini, M Fornabaio, A Marabotti, DJ Abraham, GE Kellogg, ... Journal of medicinal chemistry 45 (12), 2469-2483, 2002 | 167 | 2002 |
| A review on drug repurposing applicable to COVID-19 S Dotolo, A Marabotti, A Facchiano, R Tagliaferri Briefings in bioinformatics 22 (2), 726-741, 2021 | 166 | 2021 |
| Free energy of ligand binding to protein: evaluation of the contribution of water molecules by computational methods P Cozzini, M Fornabaio, A Marabotti, DJ Abraham, GE Kellogg, ... Current medicinal chemistry 11 (23), 3093-3118, 2004 | 130 | 2004 |
| Environment, dysbiosis, immunity and sex-specific susceptibility: a translational hypothesis for regressive autism pathogenesis A Mezzelani, M Landini, F Facchiano, ME Raggi, L Villa, M Molteni, ... Nutritional neuroscience 18 (4), 145-161, 2015 | 95 | 2015 |
| Myosin‐Binding Protein C DNA Variants in Domestic Cats (A31P, A74T, R820W) and their Association with Hypertrophic Cardiomyopathy M Longeri, P Ferrari, P Knafelz, A Mezzelani, A Marabotti, L Milanesi, ... Journal of veterinary internal medicine 27 (2), 275-285, 2013 | 92 | 2013 |
| Energetics of the protein-DNA-water interaction F Spyrakis, P Cozzini, C Bertoli, A Marabotti, GE Kellogg, A Mozzarelli BMC structural biology 7, 1-18, 2007 | 71 | 2007 |
| The Odd Couple (s): An overview of Beta-Lactam antibiotics bearing more than one pharmacophoric group M De Rosa, A Verdino, A Soriente, A Marabotti International Journal of Molecular Sciences 22 (2), 617, 2021 | 67 | 2021 |
| Study on the Association among Mycotoxins and other Variables in Children with Autism B De Santis, ME Raggi, G Moretti, F Facchiano, A Mezzelani, L Villa, ... Toxins 9 (7), 203, 2017 | 56 | 2017 |
| Energy‐based prediction of amino acid‐nucleotide base recognition A Marabotti, F Spyrakis, A Facchiano, P Cozzini, S Alberti, GE Kellogg, ... Journal of computational chemistry 29 (12), 1955-1969, 2008 | 54 | 2008 |
| Crystal structures of a new class of allosteric effectors complexed to tryptophan synthase M Weyand, I Schlichting, A Marabotti, A Mozzarelli Journal of Biological Chemistry 277 (12), 10647-10652, 2002 | 50 | 2002 |
| Predicting the stability of mutant proteins by computational approaches: an overview A Marabotti, B Scafuri, A Facchiano Briefings in Bioinformatics 22 (3), bbaa074, 2021 | 48 | 2021 |
| Analysis of galactosemia-linked mutations of GALT enzyme using a computational biology approach A Facchiano, A Marabotti Protein Engineering, Design & Selection 23 (2), 103-113, 2010 | 48 | 2010 |
| Homology modeling studies on human galactose-1-phosphate uridylyltransferase and on its galactosemia-related mutant Q188R provide an explanation of molecular effects of the … A Marabotti, AM Facchiano Journal of medicinal chemistry 48 (3), 773-779, 2005 | 47 | 2005 |
| A theoretical study on predicted protein targets of apple polyphenols and possible mechanisms of chemoprevention in colorectal cancer B Scafuri, A Marabotti, V Carbone, P Minasi, S Dotolo, A Facchiano Scientific reports 6 (1), 32516, 2016 | 44 | 2016 |
| Detection and molecular characterization of a novel BRAF activated domain mutation in follicular variant of papillary thyroid carcinoma L Santarpia, SI Sherman, A Marabotti, GL Clayman, AK El-Naggar Human pathology 40 (6), 827-833, 2009 | 44 | 2009 |
| Homology modeling in tandem with 3D-QSAR analyses: a computational approach to depict the agonist binding site of the human CB2 receptor E Cichero, A Ligresti, M Allarà, V di Marzo, Z Lazzati, P D’Ursi, A Marabotti, ... European journal of medicinal chemistry 46 (9), 4489-4505, 2011 | 42 | 2011 |
| Binding of glutamine to glutamine‐binding protein from Escherichia coli induces changes in protein structure and increases protein stability S D'Auria, A Scire, A Varriale, V Scognamiglio, M Staiano, A Ausili, ... Proteins: Structure, Function, and Bioinformatics 58 (1), 80-87, 2005 | 42 | 2005 |
| Modulation of the structural integrity of helix F in apomyoglobin by single amino acid replacements P Picotti, A Marabotti, A Negro, V Musi, B Spolaore, M Zambonin, ... Protein science 13 (6), 1572-1585, 2004 | 42 | 2004 |
| Crystal structure of the βSer178→ Pro mutant of tryptophan synthase: a “knock-out” allosteric enzyme M Weyand, I Schlichting, P Herde, A Marabotti, A Mozzarelli Journal of Biological Chemistry 277 (12), 10653-10660, 2002 | 41 | 2002 |
| 4-Nonylphenol reduces cell viability and induces apoptosis and ER-stress in a human epithelial intestinal cell line M Lepretti, G Paolella, D Giordano, A Marabotti, F Gay, A Capaldo, ... Toxicology in Vitro 29 (7), 1436-1444, 2015 | 40 | 2015 |
