Lista de obras - Giuseppe Sciortino - Dominio Público Uruguay

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

artículo científico publicado en 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

artículo científico publicado en 2020

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

artículo científico publicado en 2019

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

artículo científico publicado en 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.

artículo científico publicado en 2018

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

artículo científico publicado en 2018

Directed Self-Assembly of Trimeric DNA-Bindingchiral Miniprotein Helicates

artículo científico publicado en 2018

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

artículo científico publicado en 2020

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

artículo científico publicado en 2017

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

artículo científico publicado en 2019

GaudiMM: A modular multi-objective platform for molecular modeling

artículo científico publicado en 2017

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

artículo científico publicado en 2019

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

artículo científico publicado en 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.

artículo científico publicado en 2016

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

artículo científico publicado en 2017

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

artículo científico publicado en 2019

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

artículo científico publicado en 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

artículo científico publicado en 2019

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

artículo científico publicado en 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

artículo científico publicado en 2018

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

scientific article published on 26 November 2018

Lista de obras de 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