A. Giorgetti

发表

Structural Requirements for Cooperativity in Ileal Bile Acid-binding Proteins*

Serena Zanzoni, M. Assfalg, A. Giorgetti, 2011, The Journal of Biological Chemistry.

Protein Aggregation and Molecular Crowding: Perspectives From Multiscale Simulations.

A. Giorgetti, F. Musiani, F Musiani, 2017, International review of cell and molecular biology.

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

P. Carloni, A. Giorgetti, Eda Suku, 2017 .

Agonist Binding to Chemosensory Receptors: A Systematic Bioinformatics Analysis

S. Cichon, P. Carloni, A. Giorgetti, 2017, Front. Mol. Biosci..

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

P. Carloni, A. Giorgetti, G. Rossetti, 2015, Archives of biochemistry and biophysics.

Knowledge Based Membrane Protein Structure Prediction: From X-Ray Crystallography to Bioinformatics and Back to Molecular Biology

A. Giorgetti, Stefano Piccoli, 2011 .

Insights into the Binding of Phenyltiocarbamide (PTC) Agonist to Its Target Human TAS2R38 Bitter Receptor

Paolo Gasparini, Paolo Carloni, Alejandro Giorgetti, 2010, PloS one.

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

P. Carloni, A. Giorgetti, Juan Zeng, 2018, International journal of molecular sciences.

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

P. Carloni, A. Giorgetti, G. Rossetti, 2020, Molecules.

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

I. Ferrer, Piero Carninci, Y. Hayashizaki, 2014, BMC Genomics.

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

Paolo Carloni, Alejandro Giorgetti, Francesco Musiani, 2015, Journal of chemical theory and computation.

Automatic procedure for using models of proteins in molecular replacement

Anna Tramontano, Domenico Raimondo, Alejandro Giorgetti, 2006, Proteins.

Structure prediction of globular proteins

David T. Jones, A. Tramontano, R. Casadio, 2008 .

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

A. Giorgetti, M. J. Amundarain, Fernando Zamarreño, 2019, Journal of biomolecular structure & dynamics.

Computational design of molecularly imprinted polymer for direct detection of melamine in milk

Elena Piletska, Sergey Piletsky, Alejandro Giorgetti, 2017 .

Modelling eNvironment for Isoforms (MoNvIso): A general platform to predict structural determinants of protein isoforms in genetic diseases

J. Armstrong, P. Ruggerone, P. Carloni, 2022, bioRxiv.

Structure-function relationships of the disease-linked A218T oxytocin receptor variant

P. Carloni, A. Giorgetti, M. Alfonso-Prieto, 2022, Molecular Psychiatry.

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

P. Carloni, A. Giorgetti, A. Kless, 2017, Scientific Reports.

A computational strategy to understand structure-activity relationship of 1,3-disubstituted imidazole [1,5-α] pyrazine derivatives described as ATP competitive inhibitors of the IGF-1 receptor related to Ewing sarcoma

A. Giorgetti, Eda Suku, Y. M. Alvarez-Ginarte, 2020, Journal of Molecular Modeling.

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

A. Giorgetti, F. Musiani, Stefano Piccoli, 2014, Journal of Molecular Modeling.

All muscarinic acetylcholine receptors (M1-M5) are expressed in murine brain microvascular endothelium

G. Bertini, A. Giorgetti, P. Fabene, 2017, Scientific Reports.

Dual binding mode of “bitter sugars” to their human bitter taste receptor target

P. Carloni, A. Giorgetti, W. Meyerhof, 2019, Scientific Reports.

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

A. Giorgetti, M. Romanelli, Mirko Busato, 2016, Scientific Reports.

Open Boundary Simulations of Proteins and Their Hydration Shells by Hamiltonian Adaptive Resolution Scheme.

P. Carloni, A. Giorgetti, R. Potestio, 2017, Journal of chemical theory and computation.

Coarse-Grained/Molecular Mechanics of the TAS2R38 Bitter Taste Receptor: Experimentally-Validated Detailed Structural Prediction of Agonist Binding

P. Gasparini, P. Carloni, A. Giorgetti, 2013, PloS one.

Common evolutionary binding mode of rhodopsin-like GPCRs: Insights from structural bioinformatics

A. Giorgetti, Eda Suku, 2017 .

How to Use SNP_TATA_Comparator to Find a Significant Change in Gene Expression Caused by the Regulatory SNP ofThis Gene’s Promoter via a Change in Affinity of the TATA-Binding Protein forThis Promoter

J. Suri, J. Sanches, A. Giorgetti, 2016 .

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

D. Wong, S. Camiolo, A. Giorgetti, 2016, Scientific Reports.

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

A. Giorgetti, M. J. Amundarain, Fernando Zamarreño, 2018, Journal of biomolecular structure & dynamics.

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

P. Carloni, A. Giorgetti, A. Bauer, 2018, Molecules.

Multiscale simulations on human Frizzled and Taste2 GPCRs.

P. Carloni, A. Giorgetti, M. Alfonso-Prieto, 2019, Current opinion in structural biology.

Coevolutionary data-based interaction networks approach highlighting key residues across protein families: The case of the G-protein coupled receptors

P. Carloni, A. Giorgetti, Riccardo Capelli, 2020, Computational and structural biotechnology journal.

Molecular Mechanics / Coarse-grain simulations as a structural prediction tool for GPCRs / ligand complexes

P. Carloni, A. Giorgetti, F. Musiani, 2013 .

Hybrid MM/CG Webserver: Automatic Set Up of Molecular Mechanics/Coarse-Grained Simulations for Human G Protein-Coupled Receptor/Ligand Complexes

P. Carloni, A. Giorgetti, M. Alfonso-Prieto, 2020, Frontiers in Molecular Biosciences.

Alternative Splicing in the ENCODE Protein complement

Gabrielle A. Reeves, G. A. Reeves, Peter F. Hallin, 2008 .

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

A. Tramontano, D. Raimondo, A. Giorgetti, 2009, The FEBS journal.

Genome-wide Membrane Protein Structure Prediction

A. Giorgetti, Eda Suku, Stefano Piccoli, 2013, Current genomics.

The implications of alternative splicing in the ENCODE protein complement

Hagen Blankenburg, Fidel Ramírez, Thomas Lengauer, 2007, Proceedings of the National Academy of Sciences.

Hypomorphic mutations in POLR3A are a frequent cause of sporadic and recessive spastic ataxia

K. Amunts, W. Maier, D. Timmann, 2017, Brain : a journal of neurology.

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

P. Carloni, A. Giorgetti, G. Rossetti, 2020, Molecules.

Open Boundary Simulations of Proteins and Their Hydration Shells by Hamiltonian Adaptive Resolution Scheme.

P. Carloni, A. Giorgetti, R. Potestio, 2017, Journal of chemical theory and computation.

Characterization of C-S Lyase from C. diphtheriae: A Possible Target for New Antimicrobial Drugs

A. Giorgetti, A. Astegno, B. Cellini, 2013, BioMed research international.

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

A. Giorgetti, F. Rodeghiero, M. Ruggeri, 2008, British journal of haematology.

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

O. Olivieri, Sang-Woon Choi, A. Giorgetti, 2015, The Journal of clinical endocrinology and metabolism.

- Molecular Mechanics/Coarse-Grained Simulations as a Structural Prediction Tool for GPCRs/Ligand Complexes

P. Carloni, A. Giorgetti, F. Musiani, 2015 .

MERMAID: dedicated web server to prepare and run coarse-grained membrane protein dynamics

A. Giorgetti, Mangesh Damre, Alessandro Marchetto, 2019, Nucleic Acids Res..

OlfactionDB: A Database of Olfactory Receptors and Their Ligands

A. Giorgetti, M. Trentini, D. Modena, 2012 .

Structural Characterization of the Rieske Oxygenase Complex from Burkholderia fungorum DBT1 strain: Insights from bioinformatics

A. Giorgetti, Stefano Piccoli, G. Vallini, 2012, BIOINFORMATICS 2012.

SSB toolkit: from molecular structure to subcellular signaling pathways

A. Giorgetti, G. Rossetti, Jonas Gossen, 2022, bioRxiv.

A Gain-of-Function Mutation on BCKDK Gene and Its Possible Pathogenic Role in Branched-Chain Amino Acid Metabolism

G. Cantalupo, M. Delledonne, A. Giorgetti, 2022, Genes.

Novel protein-truncating variant in the APOB gene may protect from coronary artery disease and adverse cardiovascular events

G. Malerba, D. Girelli, O. Olivieri, 2022, Atherosclerosis plus.

Ligand based conformational space studies of the μ-opioid receptor.

A. Giorgetti, Xiaojing Cong, D. Sena, 2020, Biochimica et biophysica acta. General subjects.

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

A. Giorgetti, F. Piccinelli, M. Tolazzi, 2020, Inorganic chemistry.

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

A. Giorgetti, Stefano Piccoli, A. Astegno, 2015, Proteins.

Mutation Analysis of Violaxanthin De-epoxidase Identifies Substrate-binding Sites and Residues Involved in Catalysis*

A. Giorgetti, T. Morosinotto, R. Bassi, 2010, The Journal of Biological Chemistry.

Evidence of Alternative Splicing as a Regulatory Mechanism for Kissr2 in Pejerrey Fish

G. Ortí, A. Giorgetti, A. Mechaly, 2018, Front. Endocrinol..

Structural Bioinformatics Approaches to Chemical Senses

Alejandro Giorgetti, A. Giorgetti, 2013 .

Allosteric sodium binding cavity in GPR3: a novel player in modulation of Aβ production

M. Buffelli, A. Giorgetti, S. Capaldi, 2018, Scientific Reports.

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

Ksenia Korshunova, Paolo Carloni, Alejandro Giorgetti, 2018, Biochemical and biophysical research communications.

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

A. Giorgetti, Mirko Busato, R. Montioli, 2016, Biochimie.

Molecular Mechanics/Coarse-Grained Models

Paolo Carloni, Alejandro Giorgetti, P. Carloni, 2014 .

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

G. Malerba, A. Giorgetti, C. Maffeis, 2015, Clinical genetics.

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

Paolo Carloni, Alejandro Giorgetti, Francesco Musiani, 2014, Advances in experimental medicine and biology.

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

Alejandro Giorgetti, Mirko Busato, A. Giorgetti, 2016, The international journal of biochemistry & cell biology.

Advanced Computational Methods in Molecular Medicine

Paolo Carloni, Alejandro Giorgetti, Paolo Ruggerone, 2012, Journal of biomedicine & biotechnology.

Emergence of a recurrent insertion in the N-terminal domain of the SARS-CoV-2 spike glycoprotein

M. Gerdol, A. Giorgetti, Klevia Dishnica, 2021, bioRxiv.

A Novel ALAS2 Missense Mutation in Two Brothers With Iron Overload and Associated Alterations in Serum Hepcidin/Erythroferrone Levels

D. Girelli, O. Olivieri, A. Giorgetti, 2020, Frontiers in Physiology.

Genetic and Clinical Heterogeneity in Thirteen New Cases with Aceruloplasminemia. Atypical Anemia as a Clue for an Early Diagnosis

D. Girelli, N. Wood, A. Giorgetti, 2020, International journal of molecular sciences.

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

D. Girelli, O. Olivieri, P. Capelli, 2016, American journal of hematology.

Novel insights into the somatic proteome of Strongyloides stercoralis infective third-stage larvae

A. Giorgetti, C. Piubelli, Klevia Dishnica, 2023, Parasites & Vectors.

All muscarinic acetylcholine receptors (M1-M5) are expressed in murine brain microvascular endothelium

G. Bertini, A. Giorgetti, P. Fabene, 2017, Scientific Reports.

Computational molecular biology approaches to ligand‐target interactions

P. Carloni, A. Giorgetti, C. H. Hung Nguyen, 2009, HFSP journal.

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

A. Giorgetti, Stefano Piccoli, G. Vallini, 2014, Journal of basic microbiology.

Identification of new BMP6 pro‐peptide mutations in patients with iron overload

D. Girelli, O. Olivieri, M. Delledonne, 2017, American journal of hematology.

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

A. Tramontano, G. Melino, D. Raimondo, 2008, Biochemical pharmacology.

GABAA receptor family: overview on structural characterization.

A. Giorgetti, M. J. Amundarain, M. Costabel, 2019, Future medicinal chemistry.

Spinocerebellar ataxia type 14: refining clinicogenetic diagnosis in a rare adult‐onset disorder

M. E. Kirlangic, K. Amunts, D. Timmann, 2021, Annals of clinical and translational neurology.

Structure/function relationships of phospholipases C Beta.

P. Carloni, A. Giorgetti, F. Musiani, 2013, Current protein & peptide science.

Evaluating the usefulness of protein structure models for molecular replacement

Anna Tramontano, Domenico Raimondo, Alejandro Giorgetti, 2005, ECCB/JBI.

Hybrid Molecular Mechanics/Coarse-Grained Simulations for Structural Prediction of G-Protein Coupled Receptor/Ligand Complexes

Paolo Carloni, Chuong Nguyen, Alejandro Giorgetti, 2012, PloS one.

A homology model of the pore region of HCN channels.

V. Torre, P. Carloni, A. Giorgetti, 2005, Biophysical journal.

A multimodal approach to protein remote homology detection

Manuele Bicego, Pietro Lovato, Alejandro Giorgetti, 2014 .

The Interplay of Cholesterol and Ligand Binding in hTSPO from Classical Molecular Dynamics Simulations

P. Carloni, A. Giorgetti, G. Rossetti, 2021, Molecules.

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

A. Giorgetti, Stefano Piccoli, R. Montioli, 2014, Human molecular genetics.

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

Nitin Kumar, A. Giorgetti, A. Astegno, 2016, International journal of molecular sciences.

MIRATE: MIps RATional dEsign Science Gateway

Nicola Bombieri, Rosario Distefano, Sergey Piletsky, 2018, J. Integr. Bioinform..

Robust principal component analysis‐based prediction of protein‐protein interaction hot spots

P. Carloni, A. Giorgetti, M. Alfonso-Prieto, 2021, Proteins.

Unifying view of mechanical and functional hotspots across class A GPCRs

Luca Ponzoni, Cristian Micheletti, Paolo Carloni, 2017, PLoS Comput. Biol..

CGMD Platform: Integrated Web Servers for the Preparation, Running, and Analysis of Coarse-Grained Molecular Dynamics Simulations

Sergio Pantano, Giulia Rossetti, Alejandro Giorgetti, 2020, Molecules.

GOMoDo: A GPCRs Online Modeling and Docking Webserver

Paolo Carloni, Alejandro Giorgetti, Francesco Musiani, 2013, PloS one.

A Mechanistic Model of NMDA and AMPA Receptor-Mediated Synaptic Transmission in Individual Hippocampal CA3-CA1 Synapses: A Computational Multiscale Approach

A. Giorgetti, R. Ribeiro, Pietro Micheli, 2021, International journal of molecular sciences.

S-BLOSUM: Classification of 2D Shapes with Biological Sequence Alignment

Manuele Bicego, Pietro Lovato, Alejandro Giorgetti, 2014, 2014 22nd International Conference on Pattern Recognition.

Molecular modeling of ion channels: structural predictions.

P. Carloni, A. Giorgetti, 2003, Current opinion in chemical biology.

Gating in CNGA1 channels

V. Torre, A. Giorgetti, M. Mazzolini, 2010, Pflügers Archiv - European Journal of Physiology.

Ligand Pose Predictions for Human G Protein-Coupled Receptors: Insights from the Amber-Based Hybrid Molecular Mechanics/Coarse-Grained Approach

Ksenia Korshunova, Paolo Carloni, Alejandro Giorgetti, 2020, J. Chem. Inf. Model..

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

A. Laio, A. Giorgetti, A. Magistrato, 2013, Journal of chemical theory and computation.

Locking CNGA1 channels in the open and closed state.

V. Torre, A. Giorgetti, A. Nair, 2006, Biophysical journal.

Machine Learning-aided Discovery of Novel Chemotype Antagonists for G Protein-coupled Receptors: The Case of the Adenosine A2A Receptor

P. Carloni, A. Giorgetti, B. Neumaier, 2023, bioRxiv.

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

M. Assfalg, A. Giorgetti, M. D'Onofrio, 2015, Chembiochem : a European journal of chemical biology.

Structural basis of gating of CNG channels

V. Torre, P. Carloni, A. Giorgetti, 2005, FEBS letters.

Nicotine Blocks the Hyperpolarization-Activated Current Ih and Severely Impairs the Oscillatory Behavior of Oriens-Lacunosum Moleculare Interneurons

E. Cherubini, P. Carloni, A. Giorgetti, 2010, The Journal of Neuroscience.

pyGOMoDo: GPCRs modeling and docking with python

A. Giorgetti, R. Ribeiro, 2023, Bioinformatics.

Structural model and ligand interactions of the Xanthomonas axonopodis pv. citri oligopeptide-binding protein.

A. Tramontano, A. Giorgetti, L. Ferreira, 2007, Genetics and molecular research : GMR.

Extreme phenotypic heterogeneity in non-expansion spinocerebellar ataxias.

D. Timmann, A. Durr, L. Schöls, 2023, American journal of human genetics.

Human aromatic amino acid decarboxylase is an asymmetric and flexible enzyme: Implication in aromatic amino acid decarboxylase deficiency

A. Giorgetti, M. Perduca, M. Bertoldi, 2023, Protein science : a publication of the Protein Society.

Membrane Proteins: Insights from Computational Biology

ro Giorgetti, Alej, A. Giorgetti, 2014 .

Low Molecular Weight Inhibitors Targeting the RNA-Binding Protein HuR

P. Carloni, A. Giorgetti, M. Alfonso-Prieto, 2023, International journal of molecular sciences.

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

A. Giorgetti, M. D'Onofrio, A. Astegno, 2016, Protein Science.

Protein Aggregation and Molecular Crowding: Perspectives From Multiscale Simulations.

A. Giorgetti, F. Musiani, 2017, International review of cell and molecular biology.

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

A. Giorgetti, Stefano Piccoli, G. Vallini, 2013 .

The Evaluation of Protein Structure Prediction Results

Anna Tramontano, Domenico Raimondo, Domenico Cozzetto, 2008, Molecular biotechnology.

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

Davide Martin Heller, Alejandro Giorgetti, A. Giorgetti, 2010, Nucleic Acids Res..

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

A. Giorgetti, F. Rodeghiero, M. Ruggeri, 2008, British journal of haematology.

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

D. Girelli, O. Olivieri, P. Capelli, 2016, American journal of hematology.

Computational design of molecularly imprinted polymer for direct detection of melamine in milk

S. Piletsky, A. Giorgetti, A. Guerreiro, 2017 .