Lista de obras - F Fanelli - Dominio Público Uruguay

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.

artículo científico publicado en 2013

A Small Chaperone Improves Folding and Routing of Rhodopsin Mutants Linked to Inherited Blindness

scientific article published on 05 May 2018

A functional transmembrane complex: the luteinizing hormone receptor with bound ligand and G protein.

artículo científico publicado en 2006

A model for constitutive lutropin receptor activation based on molecular simulation and engineered mutations in transmembrane helices 6 and 7

artículo científico publicado en 2002

Ab InitioModeling and Molecular Dynamics Simulation of the α1b-Adrenergic Receptor Activation

artículo científico publicado en 1998

Adenosine A2A receptor-antagonist/dopamine D2 receptor-agonist bivalent ligands as pharmacological tools to detect A2A-D2 receptor heteromers

artículo científico publicado en 2009

Adenosine A2A-dopamine D2 receptor-receptor heteromerization: qualitative and quantitative assessment by fluorescence and bioluminescence energy transfer

artículo científico publicado en 2003

Adenosine A2A-dopamine D2 receptor-receptor heteromers. Targets for neuro-psychiatric disorders

artículo científico publicado en 2004

Amino acids of the alpha1B-adrenergic receptor involved in agonist binding: differences in docking catecholamines to receptor subtypes

scientific article published on 01 December 1996

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.

artículo científico publicado en 2007

Auto-regulation of Secretory Flux by Sensing and Responding to the Folded Cargo Protein Load in the Endoplasmic Reticulum

artículo científico publicado en 2019

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

artículo científico publicado en 2015

Comparison of the isomerization mechanisms of human melanopsin and invertebrate and vertebrate rhodopsins

scientific article published on 21 January 2014

Computational Screening of Rhodopsin Mutations Associated with Retinitis Pigmentosa

scientific article published on 01 September 2009

Computational modeling approaches to quantitative structure-binding kinetics relationships in drug discovery

artículo científico publicado en 2018

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

artículo científico publicado en 2005

Computational simulations of stem-cell factor/c-Kit receptor interaction

scientific article published on 01 September 1996

Computer simulations of signal transduction mechanism in alpha 1B-adrenergic and m3-muscarinic receptors

artículo científico publicado en 1995

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

artículo científico publicado en 2010

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

artículo científico publicado en 2007

Dark and photoactivated rhodopsin share common binding modes to transducin

artículo científico publicado en 2008

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

artículo científico publicado en 2010

Dimerization of the lutropin receptor: insights from computational modeling.

artículo científico publicado en 2006

Dissecting intrinsic and ligand-induced structural communication in the β3 headpiece of integrins.

artículo científico publicado en 2017

Enantiomeric resolution of sulfoxides on a DACH-DNB chiral stationary phase: A quantitative structure-enantioselective retention relationship (QSERR) study

article by Cosimo Altomare et al published 1993 in Chirality

Epilepsy and intellectual disability linked protein Shrm4 interaction with GABABRs shapes inhibitory neurotransmission

artículo científico publicado en 2017

Frontal Variant of Alzheimer's Disease: A Report of a Novel PSEN1 Mutation

artículo científico publicado en 2019

Homodimerization of neurotensin 1 receptor involves helices 1, 2, and 4: insights from quaternary structure predictions and dimerization free energy estimations

artículo científico publicado en 2008

Hydrophobicity of residue351 of the G protein Gi1 alpha determines the extent of activation by the alpha 2A-adrenoceptor.

artículo científico publicado en 1998

In silico screening of mutational effects on enzyme-proteic inhibitor affinity: a docking-based approach

artículo científico publicado en 2007

In silico screening of mutational effects on transmembrane helix dimerization: insights from rigid-body docking and molecular dynamics simulations

artículo científico publicado en 2007

Insight into mutation-induced activation of the luteinizing hormone receptor: molecular simulations predict the functional behavior of engineered mutants at M398.

artículo científico

Integrated structural modeling and super-resolution imaging resolve GPCR oligomers

artículo científico publicado en 2019

Interconnecting Flexibility, Structural Communication, and Function in RhoGEF Oncoproteins

artículo científico publicado en 2019

Intrinsic differences in the response of the human lutropin receptor versus the human follitropin receptor to activating mutations.

artículo científico publicado en 2007

Isoxazolo-[3,4- d ]-pyridazin-7-(6 H )-ones and their Corresponding 4,5-Disubstituted-3-(2 H )-pyridazinone Analogues as New Substrates for α 1 -Adrenoceptor Selective Antagonists: Synthesis, Modeling, and Binding Studies ⬇️

artículo científico publicado el 1 de julio de 1998

Light on the structural communication in Ras GTPases.

artículo científico publicado en 2012

Light on the structure of thromboxane A₂receptor heterodimers.

artículo científico publicado en 2011

Lutropin receptor function: insights from natural, engineered, and computer-simulated mutations.

artículo científico publicado en 2001

Modulation of thermal noise and spectral sensitivity in Lake Baikal cottoid fish rhodopsins

artículo científico publicado en 2016

Molecular basis of ligand binding and receptor activation in the oxytocin and vasopressin receptor family.

artículo científico publicado en 2000

Molecular dynamics simulations of m3-muscarinic receptor activation and QSAR analysis

scientific article published on 01 November 1995

Molecular dynamics simulations of the ligand-induced chemical information transfer in the 5-HT(1A) receptor.

artículo científico publicado en 2003

Molecular mechanisms involved in the activation and regulation of the alpha 1-adrenergic receptor subtypes.

artículo científico publicado en 1998

Monomeric dark rhodopsin holds the molecular determinants for transducin recognition: insights from computational analysis

artículo científico publicado en 2007

Multiscale quantum chemical approaches to QSAR modeling and drug design

artículo científico

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

artículo científico publicado en 2002

Network analysis to uncover the structural communication in GPCRs.

artículo científico publicado en 2013

Network and atomistic simulations unveil the structural determinants of mutations linked to retinal diseases.

artículo científico publicado en 2013

Network-level analysis of light adaptation in rod cells under normal and altered conditions

artículo científico publicado en 2009

Nucleotide binding affects intrinsic dynamics and structural communication in Ras GTPases.

artículo científico

Nucleotide binding switches the information flow in ras GTPases

artículo científico publicado en 2011

Phenylpiperazinylalkylamino substituted pyridazinones as potent alpha(1) adrenoceptor antagonists.

artículo científico publicado en 2001

Pleiotropic effects of substitutions of a highly conserved leucine in transmembrane helix III of the human lutropin/choriogonadotropin receptor with respect to constitutive activation and hormone responsiveness.

artículo científico publicado en 2001

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

artículo científico publicado en 2006

Probing fragment complementation by rigid-body docking: in silico reconstitution of calbindin D9k.

artículo científico publicado en 2005

Quaternary structure predictions and estimation of mutational effects on the free energy of dimerization of the OMPLA protein

scientific article published on 23 May 2008

Quaternary structure predictions and structural communication features of GPCR dimers.

artículo científico

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

artículo científico publicado en 2006

Rhodopsin activation follows precoupling with transducin: inferences from computational analysis

scientific article published on 01 November 2005

Sequential unfolding of individual helices of bacterioopsin observed in molecular dynamics simulations of extraction from the purple membrane

artículo científico publicado en 2006

Single molecule analysis of functionally asymmetric G protein-coupled receptor (GPCR) oligomers reveals diverse spatial and structural assemblies.

artículo científico publicado en 2014

Small-Molecule Protein-Protein Interaction Inhibitor of Oncogenic Rho Signaling

artículo científico publicado en 2016

Structural Determinants of Constitutive Activation of Gα Proteins: Transducin as a Paradigm

artículo científico publicado en 2016

Structural aspects of luteinizing hormone receptor: information from molecular modeling and mutagenesis

artículo científico publicado en 2002

Structural features of the inactive and active states of the melanin-concentrating hormone receptors: insights from molecular simulations.

artículo científico publicado en 2004

Structural insights into retinitis pigmentosa from unfolding simulations of rhodopsin mutants.

artículo científico publicado en 2010

Structure network analysis to gain insights into GPCR function.

artículo científico publicado en 2016

Synthesis, screening, and molecular modeling of new potent and selective antagonists at the alpha 1d adrenergic receptor.

artículo científico publicado en 2004

Target flexibility: an emerging consideration in drug discovery and design

scientific article published on 12 September 2008

The DRY motif as a molecular switch of the human oxytocin receptor.

artículo científico publicado en 2005

The ad hoc supermolecule approach to receptor ligand design

The catalytic site structural gate of adenosine deaminase allosterically modulates ligand binding to adenosine receptors

artículo científico publicado en 2012

The extreme C-terminal region of Gαs differentially couples to the luteinizing hormone and beta2-adrenergic receptors.

artículo científico publicado en 2011

The intellectual disability protein RAB39B selectively regulates GluA2 trafficking to determine synaptic AMPAR composition.

artículo científico publicado en 2015

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

scientific article published on 01 January 2000

Theoretical study of the electrostatically driven step of receptor-G protein recognition

scholarly article by F Fanelli published in November 1999

Theoretical study on mutation-induced activation of the luteinizing hormone receptor

scientific article published on 01 March 2000

Update 1 of: Computational Modeling Approaches to Structure–Function Analysis of G Protein-Coupled Receptors ⬇️

artículo científico publicado el 14 de diciembre de 2011

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

artículo científico publicado en 2014

Wordom: a user-friendly program for the analysis of molecular structures, trajectories, and free energy surfaces

artículo científico publicado en 2010

a-ARM: Automatic Rhodopsin Modeling with Chromophore Cavity Generation, Ionization State Selection, and External Counterion Placement

scientific article published on 12 April 2019

α1-Adrenoceptor subtype selectivity: Molecular modelling and theoretical quantitative structure—affinity relationships

scientific article published on 01 May 1997

Lista de obras de F Fanelli

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.

A Small Chaperone Improves Folding and Routing of Rhodopsin Mutants Linked to Inherited Blindness

A functional transmembrane complex: the luteinizing hormone receptor with bound ligand and G protein.

A model for constitutive lutropin receptor activation based on molecular simulation and engineered mutations in transmembrane helices 6 and 7

Ab InitioModeling and Molecular Dynamics Simulation of the α1b-Adrenergic Receptor Activation

Adenosine A2A receptor-antagonist/dopamine D2 receptor-agonist bivalent ligands as pharmacological tools to detect A2A-D2 receptor heteromers

Adenosine A2A-dopamine D2 receptor-receptor heteromerization: qualitative and quantitative assessment by fluorescence and bioluminescence energy transfer

Adenosine A2A-dopamine D2 receptor-receptor heteromers. Targets for neuro-psychiatric disorders

Amino acids of the alpha1B-adrenergic receptor involved in agonist binding: differences in docking catecholamines to receptor subtypes

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.

Auto-regulation of Secretory Flux by Sensing and Responding to the Folded Cargo Protein Load in the Endoplasmic Reticulum

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

Comparison of the isomerization mechanisms of human melanopsin and invertebrate and vertebrate rhodopsins

Computational Screening of Rhodopsin Mutations Associated with Retinitis Pigmentosa

Computational modeling approaches to quantitative structure-binding kinetics relationships in drug discovery

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

Computational simulations of stem-cell factor/c-Kit receptor interaction

Computer simulations of signal transduction mechanism in alpha 1B-adrenergic and m3-muscarinic receptors

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

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

Dark and photoactivated rhodopsin share common binding modes to transducin

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

Dimerization of the lutropin receptor: insights from computational modeling.

Dissecting intrinsic and ligand-induced structural communication in the β3 headpiece of integrins.

Enantiomeric resolution of sulfoxides on a DACH-DNB chiral stationary phase: A quantitative structure-enantioselective retention relationship (QSERR) study

Epilepsy and intellectual disability linked protein Shrm4 interaction with GABABRs shapes inhibitory neurotransmission

Frontal Variant of Alzheimer's Disease: A Report of a Novel PSEN1 Mutation

Homodimerization of neurotensin 1 receptor involves helices 1, 2, and 4: insights from quaternary structure predictions and dimerization free energy estimations

Hydrophobicity of residue351 of the G protein Gi1 alpha determines the extent of activation by the alpha 2A-adrenoceptor.

In silico screening of mutational effects on enzyme-proteic inhibitor affinity: a docking-based approach

In silico screening of mutational effects on transmembrane helix dimerization: insights from rigid-body docking and molecular dynamics simulations

Insight into mutation-induced activation of the luteinizing hormone receptor: molecular simulations predict the functional behavior of engineered mutants at M398.

Integrated structural modeling and super-resolution imaging resolve GPCR oligomers

Interconnecting Flexibility, Structural Communication, and Function in RhoGEF Oncoproteins

Intrinsic differences in the response of the human lutropin receptor versus the human follitropin receptor to activating mutations.

Isoxazolo-[3,4- d ]-pyridazin-7-(6 H )-ones and their Corresponding 4,5-Disubstituted-3-(2 H )-pyridazinone Analogues as New Substrates for α 1 -Adrenoceptor Selective Antagonists: Synthesis, Modeling, and Binding Studies ⬇️

Light on the structural communication in Ras GTPases.

Light on the structure of thromboxane A₂receptor heterodimers.

Lutropin receptor function: insights from natural, engineered, and computer-simulated mutations.

Modulation of thermal noise and spectral sensitivity in Lake Baikal cottoid fish rhodopsins

Molecular basis of ligand binding and receptor activation in the oxytocin and vasopressin receptor family.

Molecular dynamics simulations of m3-muscarinic receptor activation and QSAR analysis

Molecular dynamics simulations of the ligand-induced chemical information transfer in the 5-HT(1A) receptor.

Molecular mechanisms involved in the activation and regulation of the alpha 1-adrenergic receptor subtypes.

Monomeric dark rhodopsin holds the molecular determinants for transducin recognition: insights from computational analysis

Multiscale quantum chemical approaches to QSAR modeling and drug design

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

Network analysis to uncover the structural communication in GPCRs.

Network and atomistic simulations unveil the structural determinants of mutations linked to retinal diseases.

Network-level analysis of light adaptation in rod cells under normal and altered conditions

Nucleotide binding affects intrinsic dynamics and structural communication in Ras GTPases.

Nucleotide binding switches the information flow in ras GTPases

Phenylpiperazinylalkylamino substituted pyridazinones as potent alpha(1) adrenoceptor antagonists.

Pleiotropic effects of substitutions of a highly conserved leucine in transmembrane helix III of the human lutropin/choriogonadotropin receptor with respect to constitutive activation and hormone responsiveness.

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

Probing fragment complementation by rigid-body docking: in silico reconstitution of calbindin D9k.

Quaternary structure predictions and estimation of mutational effects on the free energy of dimerization of the OMPLA protein

Quaternary structure predictions and structural communication features of GPCR dimers.

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

Rhodopsin activation follows precoupling with transducin: inferences from computational analysis

Sequential unfolding of individual helices of bacterioopsin observed in molecular dynamics simulations of extraction from the purple membrane

Single molecule analysis of functionally asymmetric G protein-coupled receptor (GPCR) oligomers reveals diverse spatial and structural assemblies.

Small-Molecule Protein-Protein Interaction Inhibitor of Oncogenic Rho Signaling

Structural Determinants of Constitutive Activation of Gα Proteins: Transducin as a Paradigm

Structural aspects of luteinizing hormone receptor: information from molecular modeling and mutagenesis

Structural features of the inactive and active states of the melanin-concentrating hormone receptors: insights from molecular simulations.

Structural insights into retinitis pigmentosa from unfolding simulations of rhodopsin mutants.

Structure network analysis to gain insights into GPCR function.

Synthesis, screening, and molecular modeling of new potent and selective antagonists at the alpha 1d adrenergic receptor.

Target flexibility: an emerging consideration in drug discovery and design

The DRY motif as a molecular switch of the human oxytocin receptor.

The ad hoc supermolecule approach to receptor ligand design

The catalytic site structural gate of adenosine deaminase allosterically modulates ligand binding to adenosine receptors

The extreme C-terminal region of Gαs differentially couples to the luteinizing hormone and beta2-adrenergic receptors.

The intellectual disability protein RAB39B selectively regulates GluA2 trafficking to determine synaptic AMPAR composition.

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

Theoretical study of the electrostatically driven step of receptor-G protein recognition

Theoretical study on mutation-induced activation of the luteinizing hormone receptor

Update 1 of: Computational Modeling Approaches to Structure–Function Analysis of G Protein-Coupled Receptors ⬇️