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Francesca Fanelli

Research Profile

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Chemicals & Drugs

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Computer Simulation

Genes & Molecular Sequences

Amino Acid Sequences

Physiology

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Publications

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Eduard Gracia; Carme Lluís; Josefa Mallol; Peter J McCormick; Modesto Orozco; Antoni Cortés; Francesca Fanelli; Daniel Farré; Carles Ferrer-Costa; Rafael Franco; Enric I Canela; Vicent Casadó
The catalytic site structural gate of adenosine deaminase allosterically modulates ligand binding to adenosine receptors.
Francesca Fanelli; Angelo Felline; Daniele Casciari; Michele Seeber; Francesco Raimondi
Quaternary Structure Predictions and Structural Communication Features of GPCR Dimers.
Francesco Raimondi; Angelo Felline; Modesto Orozco; Guillem Portella; Francesca Fanelli
Light on the structural communication in Ras GTPases.

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All Publications

2013: Eduard Gracia; Carme Lluís; Josefa Mallol; Peter J McCormick; Modesto Orozco; Antoni Cortés; Francesca Fanelli; Daniel Farré; Carles Ferrer-Costa; Rafael Franco; Enric I Canela; Vicent Casadó
The catalytic site structural gate of adenosine deaminase allosterically modulates ligand binding to adenosine receptors.
FASEB journal : official publication of the Federation of American Societies for Experimental Biology 2013;27(3):1048-61.
2013: Francesca Fanelli; Angelo Felline; Daniele Casciari; Michele Seeber; Francesco Raimondi
Quaternary Structure Predictions and Structural Communication Features of GPCR Dimers.
Progress in molecular biology and translational science 2013;117():105-42.
2013: Francesco Raimondi; Angelo Felline; Modesto Orozco; Guillem Portella; Francesca Fanelli
Light on the structural communication in Ras GTPases.
Journal of biomolecular structure & dynamics 2013;31(2):142-57.
2012: Francesca Fanelli
Modeling the structural communication in supramolecular complexes involving GPCRs.
Methods in molecular biology (Clifton, N.J.) 2012;914():319-36.
2011: Francesca Fanelli; Francesca Guzzi; Mario Mauri; Manuela Ambrosio; Valérie Capra; Francesco Raimondi; G Enrico Rovati; Marco Parenti
Light on the structure of thromboxane A₂receptor heterodimers.
Cellular and molecular life sciences : CMLS 2011;68(18):3109-20.
2011: Geneva DeMars; Francesca Fanelli; David Puett
The extreme C-terminal region of Gαs differentially couples to the luteinizing hormone and beta2-adrenergic receptors.
Molecular endocrinology (Baltimore, Md.) 2011;25(8):1416-30.
2011: Krassimira Angelova; Angelo Felline; Moon Lee; Manish Patel; David Puett; Francesca Fanelli
Conserved amino acids participate in the structure networks deputed to intramolecular communication in the lutropin receptor.
Cellular and molecular life sciences : CMLS 2011;68(7):1227-39.
2011: Francesco Raimondi; Guillem Portella; Modesto Orozco; Francesca Fanelli
Nucleotide binding switches the information flow in ras GTPases.
PLoS computational biology 2011;7(3):e1001098.
2010: J David Puett; Krassimira Angelova; Marcelo Rocha da Costa; Susanne W Warrenfeltz; Francesca Fanelli
The luteinizing hormone receptor: insights into structure-function relationships and hormone-receptor-mediated changes in gene expression in ovarian cancer cells.
Molecular and cellular endocrinology 2010;329(1-2):47-55.
2010: Pier G De Benedetti; Francesca Fanelli
Computational quantum chemistry and adaptive ligand modeling in mechanistic QSAR.
Drug discovery today 2010;15(19-20):859-66.
2010: Francesca Fanelli; Michele Seeber
Structural insights into retinitis pigmentosa from unfolding simulations of rhodopsin mutants.
FASEB journal : official publication of the Federation of American Societies for Experimental Biology 2010;24(9):3196-209.
2010: Manuela Ambrosio; Francesca Fanelli; Silvia Brocchetti; Francesco Raimondi; Mario Mauri; G Enrico Rovati; Valérie Capra
Superactive mutants of thromboxane prostanoid receptor: functional and computational analysis of an active form alternative to constitutively active mutants.
Cellular and molecular life sciences : CMLS 2010;67(17):2979-89.
2010: Francesco Raimondi; Modesto Orozco; Francesca Fanelli
Deciphering the deformation modes associated with function retention and specialization in members of the Ras superfamily.
Structure (London, England : 1993) 2010;18(3):402-14.
2009: Daniele Dell'Orco; Henning Schmidt; Simona Mariani; Francesca Fanelli
Network-level analysis of light adaptation in rod cells under normal and altered conditions.
Molecular bioSystems 2009;5(10):1232-46.
2009: Aroa Soriano; Ruben Ventura; Anabel Molero; Rob Hoen; Vicent Casadó; Antoni Cortés; Francesca Fanelli; Fernando Albericio; Carme Lluís; Rafael Franco; Miriam Royo
Adenosine A2A receptor-antagonist/dopamine D2 receptor-agonist bivalent ligands as pharmacological tools to detect A2A-D2 receptor heteromers.
Journal of medicinal chemistry 2009;52(18):5590-602.
2009: Pier G De Benedetti; Francesca Fanelli
Ligand-receptor communication and drug design.
Current protein & peptide science 2009;10(2):186-93.
2009: Francesca Fanelli; Pier G De Benedetti; Francesco Raimondi; Michele Seeber
Computational modeling of intramolecular and intermolecular communication in GPCRs.
Current protein & peptide science 2009;10(2):173-85.
2008: Daniele Dell'Orco; Daniele Casciari; Francesca Fanelli
Quaternary structure predictions and estimation of mutational effects on the free energy of dimerization of the OMPLA protein.
Journal of structural biology 2008;163(2):155-62.
2008: Francesco Raimondi; Michele Seeber; Pier G De Benedetti; Francesca Fanelli
Mechanisms of inter- and intramolecular communication in GPCRs and G proteins.
Journal of the American Chemical Society 2008;130(13):4310-25.
2008: Francesca Fanelli; Daniele Dell'orco
Dark and photoactivated rhodopsin share common binding modes to transducin.
FEBS letters 2008;582(6):991-6.
2008: Krassimira Angelova; Francesca Fanelli; J David Puett
Contributions of intracellular loops 2 and 3 of the lutropin receptor in Gs coupling.
Molecular endocrinology (Baltimore, Md.) 2008;22(1):126-38.
2007: Daniele Dell'Orco; Pier G De Benedetti; Francesca Fanelli
In silico screening of mutational effects on transmembrane helix dimerization: insights from rigid-body docking and molecular dynamics simulations.
The journal of physical chemistry. B 2007;111(30):9114-24.
2007: Daniele Dell'Orco; Michele Seeber; Francesca Fanelli
Monomeric dark rhodopsin holds the molecular determinants for transducin recognition: insights from computational analysis.
FEBS letters 2007;581(5):944-8.
2007: J David Puett; Y Li; G DeMars; Krassimira Angelova; Francesca Fanelli
A functional transmembrane complex: the luteinizing hormone receptor with bound ligand and G protein.
Molecular and cellular endocrinology 2007;260-262():126-36.
2007: Francesca Fanelli
Dimerization of the lutropin receptor: insights from computational modeling.
Molecular and cellular endocrinology 2007;260-262():59-64.
2007: Daniele Dell'Orco; Pier G De Benedetti; Francesca Fanelli
In silico screening of mutational effects on enzyme-proteic inhibitor affinity: a docking-based approach.
BMC structural biology 2007;7():37.
2006: Michele Seeber; Francesca Fanelli; Emanuele Paci; Amedeo Caflisch
Sequential unfolding of individual helices of bacterioopsin observed in molecular dynamics simulations of extraction from the purple membrane.
Biophysical journal 2006;91(9):3276-84.
2006: Francesca Fanelli; Pier G De Benedetti
Inactive and active states and supramolecular organization of GPCRs: insights from computational modeling.
Journal of computer-aided molecular design 2006;20(7-8):449-61.
2006: Francesca Fanelli; Stefano Ferrari
Prediction of MEF2A-DNA interface by rigid body docking: a tool for fast estimation of protein mutational effects on DNA binding.
Journal of structural biology 2006;153(3):278-83.
2006: Daniele Casciari; Michele Seeber; Francesca Fanelli
Quaternary structure predictions of transmembrane proteins starting from the monomer: a docking-based approach.
BMC bioinformatics 2006;7():340.
2005: J David Puett; Yongsheng Li; Krassimira Angelova; Geneva Demars; Thomas P Meehan; Francesca Fanelli; Prema Narayan
Structure-function relationships of the luteinizing hormone receptor.
Annals of the New York Academy of Sciences 2005;1061():41-54.
2005: Francesca Fanelli; Daniele Dell'Orco
Rhodopsin activation follows precoupling with transducin: inferences from computational analysis.
Biochemistry 2005;44(45):14695-700.
2005: Daniele Dell'Orco; Michele Seeber; Pier G De Benedetti; Francesca Fanelli
Probing fragment complementation by rigid-body docking: in silico reconstitution of calbindin D9k.
Journal of chemical information and modeling 2005;45(5):1429-38.
2005: Francesca Fanelli; Pier G De Benedetti
Computational modeling approaches to structure-function analysis of G protein-coupled receptors.
Chemical reviews 2005;105(9):3297-351.
2005: Nicolas Favre; Francesca Fanelli; Marc Missotten; Anthony Nichols; Janet Wilson; Mariastella di Tiani; Christian Rommel; Alexander Scheer
The DRY motif as a molecular switch of the human oxytocin receptor.
Biochemistry 2005;44(30):9990-10008.
2004: Rosa Maria Vitale; Carlo Pedone; Pier G De Benedetti; Francesca Fanelli
Structural features of the inactive and active states of the melanin-concentrating hormone receptors: insights from molecular simulations.
Proteins 2004;56(3):430-48.
2004: Sergi Ferré; Francisco Ciruela; Meritxell Canals; Daniel Marcellino; Javier Burgueno; Vicent Casadó; Joelle Hillion; Maria Torvinen; Francesca Fanelli; Piero de Benedetti Pd; Steven R Goldberg; Michel Bouvier; Kjell Fuxe; Luigi F Agnati; Carmen Lluis; Rafael Franco; Amina S Woods
Adenosine A2A-dopamine D2 receptor-receptor heteromers. Targets for neuro-psychiatric disorders.
Parkinsonism & related disorders 2004;10(5):265-71.
2004: Susanna Cotecchia; Laura Stanasila; Dario Diviani; Katja Björklöf; Olivier Rossier; Francesca Fanelli
Structural determinants involved in the activation and regulation of G protein-coupled receptors: lessons from the alpha1-adrenegic receptor subtypes.
Biology of the cell / under the auspices of the European Cell Biology Organization 2004;96(5):327-33.
2004: Francesca Fanelli; Miriam Verhoef-Post; Marianna Timmerman; Annelieke Zeilemaker; John Martens; Axel P N Themmen
Insight into mutation-induced activation of the luteinizing hormone receptor: molecular simulations predict the functional behavior of engineered mutants at M398.
Molecular endocrinology (Baltimore, Md.) 2004;18(6):1499-508.
2004: Amedeo Leonardi; Daniela Barlocco; Federica Montesano; Giorgio Cignarella; Gianni Motta; Rodolfo Testa; Elena Poggesi; Michele Seeber; Pier G De Benedetti; Francesca Fanelli
Synthesis, screening, and molecular modeling of new potent and selective antagonists at the alpha 1d adrenergic receptor.
Journal of medicinal chemistry 2004;47(8):1900-18.
2003: Meritxell Canals; Daniel Marcellino; Francesca Fanelli; Francisco Ciruela; Piero de Benedetti; Steven R Goldberg; Kim A Neve; Kjell Fuxe; Luigi F Agnati; Amina S Woods; Sergi Ferré; Carmen Lluis; Michel Bouvier; Rafael Franco
Adenosine A2A-dopamine D2 receptor-receptor heteromerization: qualitative and quantitative assessment by fluorescence and bioluminescence energy transfer.
The Journal of biological chemistry 2003;278(47):46741-9.
2003: Michele Seeber; Pier G De Benedetti; Francesca Fanelli
Molecular dynamics simulations of the ligand-induced chemical information transfer in the 5-HT(1A) receptor.
Journal of chemical information and computer sciences 2003;43(5):1520-31.
2003: Susanna Cotecchia; Francesca Fanelli; Tommaso Costa
Constitutively active G protein-coupled receptor mutants: implications on receptor function and drug action.
Assay and drug development technologies 2003;1(2):311-6.
2002: Krassimira Angelova; Francesca Fanelli; J David Puett
A model for constitutive lutropin receptor activation based on molecular simulation and engineered mutations in transmembrane helices 6 and 7.
The Journal of biological chemistry 2002;277(35):32202-13.
2002: Francesca Fanelli; J David Puett
Structural aspects of luteinizing hormone receptor: information from molecular modeling and mutagenesis.
Endocrine 2002;18(3):285-93.
2002: Peter J Greasley; Francesca Fanelli; Olivier Rossier; Liliane Abuin; Susanna Cotecchia
Mutagenesis and modelling of the alpha(1b)-adrenergic receptor highlight the role of the helix 3/helix 6 interface in receptor activation.
Molecular pharmacology 2002;61(5):1025-32.
2002: Susanna Cotecchia; Katja Björklöf; Olivier Rossier; Laura Stanasila; Peter J Greasley; Francesca Fanelli
The alpha1b-adrenergic receptor subtype: molecular properties and physiological implications.
Journal of receptor and signal transduction research 2002;22(1-4):1-16.
2001: Peter J Greasley; Francesca Fanelli; Alexander Scheer; Liliane Abuin; Monique Nenniger-Tosato; P G DeBenedetti; Susanna Cotecchia
Mutational and computational analysis of the alpha(1b)-adrenergic receptor. Involvement of basic and hydrophobic residues in receptor activation and G protein coupling.
The Journal of biological chemistry 2001;276(49):46485-94.
2001: Daniela Barlocco; Giorgio Cignarella; Vittorio Dal Piaz; Maria Paola Giovannoni; Pier G De Benedetti; Francesca Fanelli; Federica Montesano; Elena Poggesi; Amedeo Leonardi
Phenylpiperazinylalkylamino substituted pyridazinones as potent alpha(1) adrenoceptor antagonists.
Journal of medicinal chemistry 2001;44(15):2403-10.
2001: Francesca Fanelli; Axel P N Themmen; J David Puett
Lutropin receptor function: insights from natural, engineered, and computer-simulated mutations.
IUBMB life 2001;51(3):149-55.
2000: Susanna Cotecchia; Olivier Rossier; Francesca Fanelli; A Leonardi; Pier G De Benedetti
The alpha 1a and alpha 1b-adrenergic receptor subtypes: molecular mechanisms of receptor activation and of drug action.
Pharmaceutica acta Helvetiae 2000;74(2-3):173-9.
2000: Bice Chini; Francesca Fanelli
Molecular basis of ligand binding and receptor activation in the oxytocin and vasopressin receptor family.
Experimental physiology 2000;85 Spec No():59S-66S.
2000: Alexander Scheer; T Costa; Francesca Fanelli; Pier G De Benedetti; S Mhaouty-Kodja; Liliane Abuin; Monique Nenniger-Tosato; Susanna Cotecchia
Mutational analysis of the highly conserved arginine within the Glu/Asp-Arg-Tyr motif of the alpha(1b)-adrenergic receptor: effects on receptor isomerization and activation.
Molecular pharmacology 2000;57(2):219-31.
2000: Francesca De Rienzo; Francesca Fanelli; M Cristina Menziani; Pier G De Benedetti
Theoretical investigation of substrate specificity for cytochromes P450 IA2, P450 IID6 and P450 IIIA4.
Journal of computer-aided molecular design 2000;14(1):93-116.
1999: Francesca Fanelli; C Menziani; Alexander Scheer; Susanna Cotecchia; Pier G De Benedetti
Theoretical study of the electrostatically driven step of receptor-G protein recognition.
Proteins 1999;37(2):145-56.
1999: Olivier Rossier; Liliane Abuin; Francesca Fanelli; A Leonardi; Susanna Cotecchia
Inverse agonism and neutral antagonism at alpha(1a)- and alpha(1b)-adrenergic receptor subtypes.
Molecular pharmacology 1999;56(5):858-66.
1999: Francesca Fanelli; Pascaline VAEZ-OLIVERA; Deborah Zanchetta; Pier G De Benedetti; Bice Chini
Activation mechanism of human oxytocin receptor: a combined study of experimental and computer-simulated mutagenesis.
Molecular pharmacology 1999;56(1):214-25.
1999: Alexander Scheer; Francesca Fanelli; Dario Diviani; Pier G De Benedetti; Susanna Cotecchia
Structure-function relationships of the alpha1b-adrenergic receptor.
European urology 1999;36 Suppl 1():11-6.
1998: Federica Montesano; Daniela Barlocco; Vittorio Dal Piaz; Amedeo Leonardi; Elena Poggesi; Francesca Fanelli; Pier G De Benedetti
Isoxazolo-[3,4-d]-pyridazin-7-(6H)-ones and their corresponding 4,5-disubstituted-3-(2H)-pyridazinone analogues as new substrates for alpha1-adrenoceptor selective antagonists: synthesis, modeling, and binding studies.
Bioorganic & medicinal chemistry 1998;6(7):925-35.
1998: Susanna Cotecchia; Alexander Scheer; Dario Diviani; Francesca Fanelli; Pier G De Benedetti
Molecular mechanisms involved in the activation and regulation of the alpha 1-adrenergic receptor subtypes.
Farmaco (Società chimica italiana : 1989) 1998;53(4):273-7.
1998: Francesca Fanelli; C Menziani; Alexander Scheer; Susanna Cotecchia; Pier G De Benedetti
Ab initio modeling and molecular dynamics simulation of the alpha 1b-adrenergic receptor activation.
Methods (San Diego, Calif.) 1998;14(3):302-17.
1998: M Montorsi; M Cristina Menziani; Marina Cocchi; Francesca Fanelli; Pier G De Benedetti
Computer modeling of size and shape descriptors of alpha 1-adrenergic receptor antagonists and quantitative structure-affinity/selectivity relationships.
Methods (San Diego, Calif.) 1998;14(3):239-54.
1998: Bice Chini; E Albertazzi; Pier G De Benedetti; Francesca Fanelli
Identification of a constitutively active mutant of the human oxytocin receptor.
Advances in experimental medicine and biology 1998;449():367-9.
1997: M Cristina Menziani; Francesca Fanelli; Pier G De Benedetti
Theoretical investigation of IL-6 multiprotein receptor assembly.
Proteins 1997;29(4):528-44.
1997: Pier G De Benedetti; Francesca Fanelli; M Cristina Menziani; Marina Cocchi; R Testa; A Leonardi
Alpha 1-adrenoceptor subtype selectivity: molecular modelling and theoretical quantitative structure-affinity relationships.
Bioorganic & medicinal chemistry 1997;5(5):809-16.
1997: Daniela Barlocco; Giorgio Cignarella; Francesca Fanelli; B Vitalis; Péter Mátyus; Pier G De Benedetti
Thienocycloheptapyridazines as new muscarinic agents.
Drug design and discovery 1997;14(4):273-90.
1997: Alexander Scheer; Francesca Fanelli; T Costa; Pier G De Benedetti; Susanna Cotecchia
The activation process of the alpha1B-adrenergic receptor: potential role of protonation and hydrophobicity of a highly conserved aspartate.
Proceedings of the National Academy of Sciences of the United States of America 1997;94(3):808-13.
1996: A Cavalli; Francesca Fanelli; C Taddei; Pier G De Benedetti; Susanna Cotecchia
Amino acids of the alpha1B-adrenergic receptor involved in agonist binding: differences in docking catecholamines to receptor subtypes.
FEBS letters 1996;399(1-2):9-13.
1996: Susanna Cotecchia; Alexander Scheer; Francesca Fanelli; T Costa
Molecular mechanisms underlying the activation and regulation of the alpha 1B-adrenergic receptor.
Biochemical Society transactions 1996;24(4):959-63.
1996: Daniela Barlocco; Francesca Fanelli; Giorgio Cignarella; Stefania Villa; Flaminio Nicola Cattabeni; Walter Balduini; Mauro Cimino; Pier G De Benedetti
2-(Substituted)amino-2,8-diazaspiro[4,5]decan-1,3-diones as potential muscarinic agonists: synthesis, modeling and binding studies.
Drug design and discovery 1996;14(2):129-43.
1996: M Cristina Menziani; Francesca Fanelli; Pier G De Benedetti
Computational simulations of stem-cell factor/c-kit receptor interaction.
Proteins 1996;26(1):42-54.
1996: Alexander Scheer; Francesca Fanelli; T Costa; Pier G De Benedetti; Susanna Cotecchia
Constitutively active mutants of the alpha 1B-adrenergic receptor: role of highly conserved polar amino acids in receptor activation.
The EMBO journal 1996;15(14):3566-78.
1995: Francesca Fanelli; M Cristina Menziani; Pier G De Benedetti
Molecular dynamics simulations of m3-muscarinic receptor activation and QSAR analysis.
Bioorganic & medicinal chemistry 1995;3(11):1465-77.
1995: Francesca Fanelli; M Cristina Menziani; Pier G De Benedetti
Computer simulations of signal transduction mechanism in alpha 1B-adrenergic and m3-muscarinic receptors.
Protein engineering 1995;8(6):557-64.
1994: Francesca Fanelli; M Cristina Menziani; A Carotti; Pier G De Benedetti
Theoretical quantitative structure-activity relationship analysis on three dimensional models of ligand-m1 muscarinic receptor complexes.
Bioorganic & medicinal chemistry 1994;2(3):195-211.