Francesca Fanelli

发表

Inactive and active states and supramolecular organization of GPCRs: insights from computational modeling

Francesca Fanelli, Pier Giuseppe De Benedetti, F. Fanelli, 2006, J. Comput. Aided Mol. Des..

Target flexibility: an emerging consideration in drug discovery and design.

Holger Gohlke, Garrett M Morris, Francesca Fanelli, 2008, Journal of medicinal chemistry.

Network and Atomistic Simulations Unveil the Structural Determinants of Mutations Linked to Retinal Diseases

Francesca Fanelli, Simona Mariani, Daniele Dell'Orco, 2013, PLoS Comput. Biol..

Interconnecting Flexibility, Structural Communication, and Function in RhoGEF Oncoproteins

Francesca Fanelli, Angelo Felline, Francesco Raimondi, 2019, J. Chem. Inf. Model..

Molecular Dynamics Simulations of the Ligand-Induced Chemical Information Transfer in the 5-HT1A Receptor

Francesca Fanelli, Pier Giuseppe De Benedetti, Michele Seeber, 2003, J. Chem. Inf. Comput. Sci..

Homodimerization of Neurotensin 1 Receptor Involves Helices 1, 2, and 4: Insights from Quaternary Structure Predictions and Dimerization Free Energy Estimations

Francesca Fanelli, Daniele Casciari, Daniele Dell'Orco, 2008, J. Chem. Inf. Model..

Adenosine A2A-Dopamine D2 Receptor-Receptor Heteromerization

Francesca Fanelli, Michel Bouvier, Luigi F Agnati, 2003, Journal of Biological Chemistry.

Quaternary structure predictions of transmembrane proteins starting from the monomer: a docking-based approach

Francesca Fanelli, Michele Seeber, Daniele Casciari, 2006, BMC Bioinformatics.

A Mixed Protein Structure Network and Elastic Network Model Approach to Predict the Structural Communication in Biomolecular Systems: The PDZ2 Domain from Tyrosine Phosphatase 1E As a Case Study.

Francesca Fanelli, Simona Mariani, Angelo Felline, 2013, Journal of chemical theory and computation.

WebPSN: a web server for high-throughput investigation of structural communication in biomacromolecules

Francesca Fanelli, Simona Mariani, Angelo Felline, 2015, Bioinform..

Probing Fragment Complementation by Rigid-Body Docking: in Silico Reconstitution of Calbindin D9k

Francesca Fanelli, Pier Giuseppe De Benedetti, Michele Seeber, 2005, J. Chem. Inf. Model..

Catching Functional Modes and Structural Communication in Dbl Family Rho Guanine Nucleotide Exchange Factors

Francesca Fanelli, Angelo Felline, Francesco Raimondi, 2015, J. Chem. Inf. Model..

Nucleotide Binding Switches the Information Flow in Ras GTPases

Francesca Fanelli, Modesto Orozco, Francesco Raimondi, 2011, PLoS Comput. Biol..

Theoretical investigation of substrate specificity for cytochromes P450 IA2, P450 IID6 and P450 IIIA4

Francesca Fanelli, Pier Giuseppe De Benedetti, Maria Cristina Menziani, 2000, J. Comput. Aided Mol. Des..

Wordom: A User-Friendly Program for the Analysis of Molecular Structures, Trajectories, and Free Energy Surfaces

Francesca Fanelli, Amedeo Caflisch, Francesco Rao, 2010, J. Comput. Chem..

Computational Modeling Approaches to StructureFunction Analysis of G Protein-Coupled Receptors

Francesca Fanelli, F. Fanelli, Pier G. De Benedetti, 2005 .

Structural features of the inactive and active states of the melanin‐concentrating hormone receptors: Insights from molecular simulations

Francesca Fanelli, Rosa Maria Vitale, R. Vitale, 2004, Proteins.

Structural insights into retinitis pigmentosa from unfolding simulations of rhodopsin mutants

Francesca Fanelli, Michele Seeber, M. Seeber, 2010, FASEB journal : official publication of the Federation of American Societies for Experimental Biology.

webPSN v2.0: a webserver to infer fingerprints of structural communication in biomacromolecules

Francesca Fanelli, Angelo Felline, Michele Seeber, 2020, Nucleic Acids Res..

Deciphering the deformation modes associated with function retention and specialization in members of the Ras superfamily.

Francesca Fanelli, Modesto Orozco, Francesco Raimondi, 2010, Structure.

Rhodopsin activation follows precoupling with transducin: inferences from computational analysis.

Francesca Fanelli, Daniele Dell'Orco, 2005, Biochemistry.

The heuristic-direct approach to quantitative structure-activity relationship analysis

Marina Cocchi, Francesca Fanelli, M. Cocchi, 1993 .

Multiscale quantum chemical approaches to QSAR modeling and drug design.

Francesca Fanelli, F. Fanelli, P. D. De Benedetti, 2014, Drug discovery today.

Mutagenesis and modelling of the alpha(1b)-adrenergic receptor highlight the role of the helix 3/helix 6 interface in receptor activation.

Francesca Fanelli, Olivier Rossier, F. Fanelli, 2002, Molecular pharmacology.

Update 1 of: computational modeling approaches to structure-function analysis of G protein-coupled receptors.

Francesca Fanelli, F. Fanelli, P. D. De Benedetti, 2011, Chemical reviews.

Theoretical quantitative structure-activity relationship analysis of congeneric and non-congeneric α1-adrenoceptor antagonists: a chemometric study

Marina Cocchi, Francesca Fanelli, M. Cocchi, 1995 .

Raisins and Currants as Conventional Nutraceuticals in Italian Market: Natural Occurrence of Ochratoxin A.

Francesca Fanelli, Alberto Ritieni, Irene Dini, 2017, Journal of food science.

An intracellular loop (IL2) residue confers different basal constitutive activities to the human lutropin receptor and human thyrotropin receptor through structural communication between IL2 and helix 6, via helix 3.

Francesca Fanelli, F. Fanelli, Xiuyan Feng, 2008, Endocrinology.

Contributions of intracellular loops 2 and 3 of the lutropin receptor in Gs coupling.

Francesca Fanelli, David Puett, F. Fanelli, 2008, Molecular endocrinology.

Computational modeling approaches to structure-function analysis of G protein-coupled receptors.

Francesca Fanelli, F. Fanelli, P. D. De Benedetti, 2005, Chemical reviews.

The heuristic-direct approach to theoretical quantitative structure activity relationship analysis of α1- adrenoceptor ligands

Marina Cocchi, Francesca Fanelli, Maria Cristina Menziani, 1994 .

Mechanisms of inter- and intramolecular communication in GPCRs and G proteins.

Francesca Fanelli, Francesco Raimondi, Michele Seeber, 2008, Journal of the American Chemical Society.

Prediction of MEF2A-DNA interface by rigid body docking: a tool for fast estimation of protein mutational effects on DNA binding.

Francesca Fanelli, Stefano Ferrari, 2006, Journal of structural biology.

Dimerization and ligand binding affect the structure network of A(2A) adenosine receptor.

Francesca Fanelli, F. Fanelli, Angelo Nicola Felline, 2011, Biochimica et biophysica acta.

Comparative molecular dynamics study of the seven-helix bundle arrangement of G-protein coupled receptors

Marina Cocchi, Francesca Fanelli, Maria Cristina Menziani, 1995 .

Quantitative structure-affinity/selectivity relationship analysis on three-dimensional models of the complexes between the ETA and ETB receptors and C-terminal endothelin hexapeptide antagonists

Marina Cocchi, Francesca Fanelli, Maria Cristina Menziani, 1995 .

Synthesis, Screening, and Molecular Modeling of New Potent and Selective Antagonists at the α1d Adrenergic Receptor

Francesca Fanelli, Daniela Barlocco, Michele Seeber, 2004 .

Conserved amino acids participate in the structure networks deputed to intramolecular communication in the lutropin receptor

Francesca Fanelli, Angelo Felline, David Puett, 2011, Cellular and Molecular Life Sciences.