| 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 | 150 | 2002 |
| 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 | 115 | 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 | 65 | 2015 |
| Energetics of the protein-DNA-water interaction F Spyrakis, P Cozzini, C Bertoli, A Marabotti, GE Kellogg, A Mozzarelli BMC structural biology 7 (1), 1-18, 2007 | 64 | 2007 |
| 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 | 58 | 2013 |
| 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 | 49 | 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 | 47 | 2002 |
| 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 | 42 | 2005 |
| 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 | 39 | 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, ... European journal of medicinal chemistry 46 (9), 4489-4505, 2011 | 38 | 2011 |
| 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 | 38 | 2010 |
| Binding of glutamine to glutamine‐binding protein from Escherichia coli induces changes in protein structure and increases protein stability S D'Auria, A Scirè, A Varriale, V Scognamiglio, M Staiano, A Ausili, ... Proteins: Structure, Function, and Bioinformatics 58 (1), 80-87, 2005 | 38 | 2005 |
| 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 | 37 | 2021 |
| 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), 1-13, 2016 | 37 | 2016 |
| 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 | 36 | 2002 |
| 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 | 34 | 2004 |
| Stability and dynamics of the porcine odorant-binding protein M Staiano, S D'Auria, A Varriale, M Rossi, A Marabotti, C Fini, ... Biochemistry 46 (39), 11120-11127, 2007 | 33 | 2007 |
| Allosteric communication of tryptophan synthase: functional and regulatory properties of the βS178P mutant A Marabotti, D De Biase, A Tramonti, S Bettati, A Mozzarelli Journal of Biological Chemistry 276 (21), 17747-17753, 2001 | 33 | 2001 |
| Binding of Glucose to the d-Galactose/d-Glucose–Binding Protein from Escherichia coli Restores the Native Protein Secondary Structure and Thermostability That … S D'Auria, A Ausili, A Marabotti, A Varriale, V Scognamiglio, M Staiano, ... Journal of biochemistry 139 (2), 213-221, 2006 | 32 | 2006 |
| Hydrophobic interactions and ionic networks play an important role in thermal stability and denaturation mechanism of the porcine odorant‐binding protein OV Stepanenko, A Marabotti, IM Kuznetsova, KK Turoverov, C Fini, ... Proteins: Structure, Function, and Bioinformatics 71 (1), 35-44, 2008 | 31 | 2008 |
