List of works - Giuseppe Sciortino

Accurate prediction of vertical electronic transitions of Ni(II) coordination compounds via time dependent density functional theory

BioMetAll: Identifying Metal-Binding Sites in Proteins from Backbone Preorganization

scientific article published on 18 December 2020

Bonding rearrangements in organometallic reactions: from orbitals to curly arrows

scientific article published on 17 October 2019

Catalytic Regioselective Isomerization of 2,2-Disubstituted Oxetanes to Homoallylic Alcohols

scientific article published on 25 January 2020

Chemistry of mixed-ligand oxidovanadium(IV) complexes of aroylhydrazones incorporating quinoline derivatives: Study of solution behavior, theoretical evaluation and protein/DNA interaction

scientific article published on 22 July 2019

Chiral Cyclobutane-Containing Cell-Penetrating Peptides as Selective Vectors for Anti-Leishmania Drug Delivery Systems

scientific article published on 12 October 2020

Computational insight into the interaction of oxaliplatin with insulin

scientific article published on 01 April 2019

Decoding Surface Interaction of VIVO Metallodrug Candidates with Lysozyme.

scientific article

Direct Asymmetric Hydrogenation of N-Methyl and N-Alkyl Imines with an Ir(III)H Catalyst

scientific article published on 29 November 2018

Directed Self-Assembly of Trimeric DNA-Bindingchiral Miniprotein Helicates

scientific article published on 30 October 2018

ESI-MS Study of the Interaction of Potential Oxidovanadium(IV) Drugs and Amavadin with Model Proteins

scientific article published on 25 June 2020

Elucidation of Binding Site and Chiral Specificity of Oxidovanadium Drugs with Lysozyme through Theoretical Calculations

scientific article

GARLEEK: Adding an extra flavor to ONIOM

scientific article published on 21 November 2018

GPathFinder: Identification of Ligand-Binding Pathways by a Multi-Objective Genetic Algorithm

scientific article published on 28 June 2019

GaudiMM: A modular multi-objective platform for molecular modeling

scientific article published on 12 June 2017

Interaction of Vanadium(IV) Species with Ubiquitin: A Combined Instrumental and Computational Approach

scientific article published on 29 May 2019

Iridium-Catalyzed Isomerization of N-Sulfonyl Aziridines to Allyl Amines

scientific article published on 06 September 2018

New VIV, VIVO, VVO, and VVO2 Systems: Exploring their Interconversion in Solution, Protein Interactions, and Cytotoxicity

scientific article published on 11 September 2020

Nonoxido V(IV) Complexes: Prediction of the EPR Spectrum and Electronic Structure of Simple Coordination Compounds and Amavadin.

scientific article published on 11 July 2016

Prediction of the interaction of metallic moieties with proteins: An update for protein-ligand docking techniques

scientific article

Quantitative prediction of electronic absorption spectra of copper(II)-bioligand systems: Validation and applications

scientific article published on 27 November 2019

Rationalizing the Decavanadate(V) and Oxidovanadium(IV) Binding to G-Actin and the Competition with Decaniobate(V) and ATP

scientific article published on 30 November 2020

Simple Coordination Geometry Descriptors Allow to Accurately Predict Metal-Binding Sites in Proteins

scientific article published on 19 February 2019

Studying the reactivity of "old" Cu(II) complexes for "novel" anticancer purposes

scientific article published on 18 March 2019

The binding modes of VIVO2+ ions in blood proteins and enzymes

scientific article published on 14 September 2020

Through-Space Spin Coupling in a Silver(II) Porphyrin Dimer upon Stepwise Oxidations: AgII ⋅⋅⋅AgII , AgII ⋅⋅⋅AgIII , and AgIII ⋅⋅⋅AgIII Metallophilic Interactions

scientific article published on 18 July 2019

VIVO complexes with antibacterial quinolone ligands and their interaction with serum proteins

scientific article

Validation and Applications of Protein-Ligand Docking Approaches Improved for Metalloligands with Multiple Vacant Sites

scientific article published on 26 November 2018

List of works by Giuseppe Sciortino

Accurate prediction of vertical electronic transitions of Ni(II) coordination compounds via time dependent density functional theory

BioMetAll: Identifying Metal-Binding Sites in Proteins from Backbone Preorganization

Bonding rearrangements in organometallic reactions: from orbitals to curly arrows

Catalytic Regioselective Isomerization of 2,2-Disubstituted Oxetanes to Homoallylic Alcohols

Chemistry of mixed-ligand oxidovanadium(IV) complexes of aroylhydrazones incorporating quinoline derivatives: Study of solution behavior, theoretical evaluation and protein/DNA interaction

Chiral Cyclobutane-Containing Cell-Penetrating Peptides as Selective Vectors for Anti-Leishmania Drug Delivery Systems

Computational insight into the interaction of oxaliplatin with insulin

Decoding Surface Interaction of VIVO Metallodrug Candidates with Lysozyme.

Direct Asymmetric Hydrogenation of N-Methyl and N-Alkyl Imines with an Ir(III)H Catalyst

Directed Self-Assembly of Trimeric DNA-Bindingchiral Miniprotein Helicates

ESI-MS Study of the Interaction of Potential Oxidovanadium(IV) Drugs and Amavadin with Model Proteins

Elucidation of Binding Site and Chiral Specificity of Oxidovanadium Drugs with Lysozyme through Theoretical Calculations

GARLEEK: Adding an extra flavor to ONIOM

GPathFinder: Identification of Ligand-Binding Pathways by a Multi-Objective Genetic Algorithm

GaudiMM: A modular multi-objective platform for molecular modeling

Interaction of Vanadium(IV) Species with Ubiquitin: A Combined Instrumental and Computational Approach

Iridium-Catalyzed Isomerization of N-Sulfonyl Aziridines to Allyl Amines

New VIV, VIVO, VVO, and VVO2 Systems: Exploring their Interconversion in Solution, Protein Interactions, and Cytotoxicity

Nonoxido V(IV) Complexes: Prediction of the EPR Spectrum and Electronic Structure of Simple Coordination Compounds and Amavadin.

Prediction of the interaction of metallic moieties with proteins: An update for protein-ligand docking techniques

Quantitative prediction of electronic absorption spectra of copper(II)-bioligand systems: Validation and applications

Rationalizing the Decavanadate(V) and Oxidovanadium(IV) Binding to G-Actin and the Competition with Decaniobate(V) and ATP

Simple Coordination Geometry Descriptors Allow to Accurately Predict Metal-Binding Sites in Proteins

Studying the reactivity of "old" Cu(II) complexes for "novel" anticancer purposes

The binding modes of VIVO2+ ions in blood proteins and enzymes

Through-Space Spin Coupling in a Silver(II) Porphyrin Dimer upon Stepwise Oxidations: AgII ⋅⋅⋅AgII , AgII ⋅⋅⋅AgIII , and AgIII ⋅⋅⋅AgIII Metallophilic Interactions

VIVO complexes with antibacterial quinolone ligands and their interaction with serum proteins

Validation and Applications of Protein-Ligand Docking Approaches Improved for Metalloligands with Multiple Vacant Sites