List of works - Alejandro Giorgetti

A Candidate Ion-Retaining State in the Inward-Facing Conformation of Sodium/Galactose Symporter: Clues from Atomistic Simulations.

scientific article published on 16 January 2013

A Multimodal Approach for Protein Remote Homology Detection.

scientific article

A comprehensive picture of the mutations associated with aromatic amino acid decarboxylase deficiency: from molecular mechanisms to therapy implications

scientific article published on 27 May 2014

A homology model of the pore region of HCN channels.

scientific article

Advanced computational methods in molecular medicine

scientific article published on 20 May 2012

Agonist Binding to Chemosensory Receptors: A Systematic Bioinformatics Analysis

scientific article published on 6 September 2017

Apparent Mineralocorticoid Excess by a Novel Mutation and Epigenetic Modulation by HSD11B2 Promoter Methylation

scientific article published on 30 June 2015

Automatic procedure for using models of proteins in molecular replacement.

scientific article

Bioinformatics Applications in Life Sciences and Technologies

scientific article published on 4 May 2016

Characterization of C-S Lyase from C. diphtheriae: a possible target for new antimicrobial drugs

scientific article published on 11 September 2013

Chemosensorial G-proteins-coupled receptors: a perspective from computational methods

scientific article published on January 2014

Computational molecular biology approaches to ligand-target interactions.

scientific article published on 10 March 2009

Conserved charged amino acids are key determinants for fatty acid binding proteins (FABPs)-membrane interactions. A multi-methodological computational approach.

scientific article published on 16 March 2017

Dual binding mode of "bitter sugars" to their human bitter taste receptor target.

scientific article published on 11 June 2019

Dynamic characterization and substrate binding of cis-2,3-dihydrobiphenyl-2,3-diol dehydrogenase-an enzyme used in bioremediation

scientific article published on 30 November 2014

Effect of the Heteroaromatic Antenna on the Binding of Chiral Eu(III) Complexes to Bovine Serum Albumin

scientific article published on 10 August 2020

Effects of interface mutations on the dimerization of alanine glyoxylate aminotransferase and implications in the mistargeting of the pathogenic variants F152I and I244T.

scientific article published on 5 October 2016

Evaluating the usefulness of protein structure models for molecular replacement.

scientific article

Evidence for a Transient Additional Ligand Binding Site in the TAS2R46 Bitter Taste Receptor

scientific article published on 24 August 2015

GOMoDo: A GPCRs online modeling and docking webserver

scientific article

Genetic and bioinformatics analysis of four novel GCK missense variants detected in Caucasian families with GCK-MODY phenotype.

scientific article

Genome-wide Membrane Protein Structure Prediction.

scientific article

Genome-wide characterisation and expression profile of the grapevine ATL ubiquitin ligase family reveal biotic and abiotic stress-responsive and development-related members.

scientific article published on 2 December 2016

Hybrid molecular mechanics/coarse-grained simulations for structural prediction of G-protein coupled receptor/ligand complexes

scientific article

Identification of aldolase and ferredoxin reductase within the dbt operon of Burkholderia fungorum DBT1.

scientific article

Identification of novel mutations in hemochromatosis genes by targeted next generation sequencing in Italian patients with unexplained iron overload.

scientific article published in June 2016

Impact of Cholesterol on the Stability of Monomeric and Dimeric Forms of the Translocator Protein TSPO: A Molecular Simulation Study

scientific article published on 19 September 2020

Insights into the binding of Phenyltiocarbamide (PTC) agonist to its target human TAS2R38 bitter receptor

scientific article (publication date: 25 August 2010)

Locking CNGA1 channels in the open and closed state.

scientific article published on 2 March 2006

Loss of the JAK2 intramolecular auto-inhibition mechanism is predicted by structural modelling of a novel exon 12 insertion mutation in a case of idiopathic erythrocytosis

scientific article published on 30 July 2008

Mesencephalic dopaminergic neurons express a repertoire of olfactory receptors and respond to odorant-like molecules

scientific article

Metal binding affinity and structural properties of calmodulin-like protein 14 from Arabidopsis thaliana

scientific article

Modelling and molecular dynamics of the interaction between the E3 ubiquitin ligase Itch and the E2 UbcH7.

scientific article published on 31 August 2008

Molecular characterization of HIV-1 Nef and ACOT8 interaction: insights from in silico structural predictions and in vitro functional assays

scientific article

Multi-scale simulations of membrane proteins: The case of bitter taste receptors

Mutation analysis of violaxanthin de-epoxidase identifies substrate-binding sites and residues involved in catalysis

scientific article published on 27 May 2010

NMR Constraints Analyser: a web-server for the graphical analysis of NMR experimental constraints.

scientific article published on 31 May 2010

Nicotine blocks the hyperpolarization-activated current Ih and severely impairs the oscillatory behavior of oriens-lacunosum moleculare interneurons.

scientific article published on August 2010

Orthosteric and benzodiazepine cavities of the α1β2γ2 GABAA receptor: Insights from experimentally-validated in silico methods.

scientific article published on 10 April 2018

Predicting ligand binding poses for low-resolution membrane protein models: Perspectives from multiscale simulations

scientific article published on 31 January 2018

Protein Aggregation and Molecular Crowding: Perspectives From Multiscale Simulations

scientific article

Residues in the Distal Heme Pocket of Arabidopsis Non-Symbiotic Hemoglobins: Implication for Nitrite Reductase Activity

scientific article

Role of Extracellular Loops and Membrane Lipids for Ligand Recognition in the Neuronal Adenosine Receptor Type 2A: An Enhanced Sampling Simulation Study

scientific article published on 12 October 2018

Role of active-site residues Tyr55 and Tyr114 in catalysis and substrate specificity of Corynebacterium diphtheriae C-S lyase.

scientific article published on 18 November 2014

Site-directed enzymatic PEGylation of the human granulocyte colony-stimulating factor

scientific article published on 16 October 2009

Structural Prediction of the Dimeric Form of the Mammalian Translocator Membrane Protein TSPO: A Key Target for Brain Diagnostics

scholarly article by Juan Zeng published in August 2018

Structural Requirements for Cooperativity in Ileal Bile Acid-binding Proteins

scientific article

Structural basis of gating of CNG channels

scientific article

Structural heterogeneity of the μ-opioid receptor's conformational ensemble in the apo state

scientific article

Structural modeling of G-protein coupled receptors: An overview on automatic web-servers

scientific article published on 18 April 2016

Structural predictions of neurobiologically relevant G-protein coupled receptors and intrinsically disordered proteins

scientific article published on 19 March 2015

Structure/function relationships of phospholipases C Beta.

scientific article published on December 2013

The assessment of methods for protein structure prediction.

scientific article

The evaluation of protein structure prediction results.

scientific article

The implications of alternative splicing in the ENCODE protein complement

scientific article (publication date: 27 March 2007)

Transient Interactions of a Cytosolic Protein with Macromolecular and Vesicular Cosolutes: Unspecific and Specific Effects.

scientific article published on 9 October 2015

Unifying view of mechanical and functional hotspots across class A GPCRs.

scientific article

pyGOMoDo: GPCRs modeling and docking with python

scientific article published in 2023

List of works by Alejandro Giorgetti

A Candidate Ion-Retaining State in the Inward-Facing Conformation of Sodium/Galactose Symporter: Clues from Atomistic Simulations.

A Multimodal Approach for Protein Remote Homology Detection.

A comprehensive picture of the mutations associated with aromatic amino acid decarboxylase deficiency: from molecular mechanisms to therapy implications

A homology model of the pore region of HCN channels.

Advanced computational methods in molecular medicine

Agonist Binding to Chemosensory Receptors: A Systematic Bioinformatics Analysis

Apparent Mineralocorticoid Excess by a Novel Mutation and Epigenetic Modulation by HSD11B2 Promoter Methylation

Automatic procedure for using models of proteins in molecular replacement.

Bioinformatics Applications in Life Sciences and Technologies

Characterization of C-S Lyase from C. diphtheriae: a possible target for new antimicrobial drugs

Chemosensorial G-proteins-coupled receptors: a perspective from computational methods

Computational molecular biology approaches to ligand-target interactions.

Conserved charged amino acids are key determinants for fatty acid binding proteins (FABPs)-membrane interactions. A multi-methodological computational approach.

Dual binding mode of "bitter sugars" to their human bitter taste receptor target.

Dynamic characterization and substrate binding of cis-2,3-dihydrobiphenyl-2,3-diol dehydrogenase-an enzyme used in bioremediation

Effect of the Heteroaromatic Antenna on the Binding of Chiral Eu(III) Complexes to Bovine Serum Albumin

Effects of interface mutations on the dimerization of alanine glyoxylate aminotransferase and implications in the mistargeting of the pathogenic variants F152I and I244T.

Evaluating the usefulness of protein structure models for molecular replacement.

Evidence for a Transient Additional Ligand Binding Site in the TAS2R46 Bitter Taste Receptor

GOMoDo: A GPCRs online modeling and docking webserver

Genetic and bioinformatics analysis of four novel GCK missense variants detected in Caucasian families with GCK-MODY phenotype.

Genome-wide Membrane Protein Structure Prediction.

Genome-wide characterisation and expression profile of the grapevine ATL ubiquitin ligase family reveal biotic and abiotic stress-responsive and development-related members.

Hybrid molecular mechanics/coarse-grained simulations for structural prediction of G-protein coupled receptor/ligand complexes

Identification of aldolase and ferredoxin reductase within the dbt operon of Burkholderia fungorum DBT1.

Identification of novel mutations in hemochromatosis genes by targeted next generation sequencing in Italian patients with unexplained iron overload.

Impact of Cholesterol on the Stability of Monomeric and Dimeric Forms of the Translocator Protein TSPO: A Molecular Simulation Study

Insights into the binding of Phenyltiocarbamide (PTC) agonist to its target human TAS2R38 bitter receptor

Locking CNGA1 channels in the open and closed state.

Loss of the JAK2 intramolecular auto-inhibition mechanism is predicted by structural modelling of a novel exon 12 insertion mutation in a case of idiopathic erythrocytosis

Mesencephalic dopaminergic neurons express a repertoire of olfactory receptors and respond to odorant-like molecules

Metal binding affinity and structural properties of calmodulin-like protein 14 from Arabidopsis thaliana

Modelling and molecular dynamics of the interaction between the E3 ubiquitin ligase Itch and the E2 UbcH7.

Molecular characterization of HIV-1 Nef and ACOT8 interaction: insights from in silico structural predictions and in vitro functional assays

Multi-scale simulations of membrane proteins: The case of bitter taste receptors

Mutation analysis of violaxanthin de-epoxidase identifies substrate-binding sites and residues involved in catalysis

NMR Constraints Analyser: a web-server for the graphical analysis of NMR experimental constraints.

Nicotine blocks the hyperpolarization-activated current Ih and severely impairs the oscillatory behavior of oriens-lacunosum moleculare interneurons.

Orthosteric and benzodiazepine cavities of the α1β2γ2 GABAA receptor: Insights from experimentally-validated in silico methods.

Predicting ligand binding poses for low-resolution membrane protein models: Perspectives from multiscale simulations

Protein Aggregation and Molecular Crowding: Perspectives From Multiscale Simulations

Residues in the Distal Heme Pocket of Arabidopsis Non-Symbiotic Hemoglobins: Implication for Nitrite Reductase Activity

Role of Extracellular Loops and Membrane Lipids for Ligand Recognition in the Neuronal Adenosine Receptor Type 2A: An Enhanced Sampling Simulation Study

Role of active-site residues Tyr55 and Tyr114 in catalysis and substrate specificity of Corynebacterium diphtheriae C-S lyase.

Site-directed enzymatic PEGylation of the human granulocyte colony-stimulating factor

Structural Prediction of the Dimeric Form of the Mammalian Translocator Membrane Protein TSPO: A Key Target for Brain Diagnostics

Structural Requirements for Cooperativity in Ileal Bile Acid-binding Proteins

Structural basis of gating of CNG channels

Structural heterogeneity of the μ-opioid receptor's conformational ensemble in the apo state

Structural modeling of G-protein coupled receptors: An overview on automatic web-servers

Structural predictions of neurobiologically relevant G-protein coupled receptors and intrinsically disordered proteins

Structure/function relationships of phospholipases C Beta.

The assessment of methods for protein structure prediction.

The evaluation of protein structure prediction results.

The implications of alternative splicing in the ENCODE protein complement

Transient Interactions of a Cytosolic Protein with Macromolecular and Vesicular Cosolutes: Unspecific and Specific Effects.

Unifying view of mechanical and functional hotspots across class A GPCRs.

pyGOMoDo: GPCRs modeling and docking with python