Giuseppe Sciortino

All papers authored by Giuseppe Sciortino

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2021 Lorena Roldán-Martín

, Francesca Peccati

, Giuseppe Sciortino

, Mariona Sodupe, Jean-Didier Maréchal

Impact of Cu(ii) and Al(iii) on the conformational landscape of amyloidβ_1-42

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2020 Giuseppe Sciortino

, Jean-Didier Maréchal, István Fábián, Norbert Lihi, Eugenio Garribba

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

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2019 Atanu Banerjee, Subhashree P. Dash, Monalisa Mohanty, Daniele Sanna, Giuseppe Sciortino

, Valeria Ugone, Eugenio Garribba, Hans Reuter, Werner Kaminsky, Rupam Dinda

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

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Akhil Kumar Singh, Mohammad Usman, Giuseppe Sciortino

, Eugenio Garribba

, Sankar Prasad Rath

Front Cover: Through‐Space Spin Coupling in a Silver(II) Porphyrin Dimer upon Stepwise Oxidations: Ag II ⋅⋅⋅Ag II , Ag II ⋅⋅⋅Ag III , and Ag III ⋅⋅⋅Ag III Metallophilic Interactions (Chem. Eur. J. 43/2019)

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Akhil Kumar Singh, Mohammad Usman, Giuseppe Sciortino

, Eugenio Garribba

, Sankar Prasad Rath

Through‐Space Spin Coupling in a Silver(II) Porphyrin Dimer upon Stepwise Oxidations: Ag II ⋅⋅⋅Ag II , Ag II ⋅⋅⋅Ag III , and Ag III ⋅⋅⋅Ag III Metallophilic Interactions

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Albert Cabré, Juanjo Cabezas‐Giménez, Giuseppe Sciortino

, Gregori Ujaque, Xavier Verdaguer, Agustí Lledós, Antoni Riera

Mild Iridium‐Catalysed Isomerization of Epoxides. Computational Insights and Application to the Synthesis of β‐Alkyl Amines

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This paper is made freely available by the publisher.

José-Emilio Sánchez-Aparicio

, Giuseppe Sciortino

, Daniel Viladrich Herrmannsdoerfer, Pablo Orenes Chueca, Jaime Rodríguez-Guerra Pedregal

, Jean-Didier Maréchal

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

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Quim Peña, Julia Lorenzo, Giuseppe Sciortino

, Sergi Rodríguez-Calado, Jean-Didier Maréchal, Pau Bayón, A. Jalila Simaan

, Olga Iranzo, Mercè Capdevila, Òscar Palacios

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

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This paper was not found in any repository; the policy of its publisher is unknown or unclear.

A. K. Singh, Rath Sp, Singh Ak, M. Usman, G. Sciortino

, E. Garribba, S. P. Rath

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

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Giuseppe Sciortino

, Daniele Sanna

, Valeria Ugone

, Jean-Didier Maréchal

, Mercè Alemany-Chavarria, Eugenio Garribba

Effect of secondary interactions, steric hindrance and electric charge on the interaction of VIVO species with proteins

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Giuseppe Sciortino

, José-Emilio Sánchez-Aparicio

, Jaime Rodríguez-Guerra Pedregal

, Eugenio Garribba

, Jean-Didier Maréchal

Computational insight into the interaction of oxaliplatin with insulin

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Giuseppe Sciortino

, Daniele Sanna

, Valeria Ugone

, Jean-Didier Maréchal

, Eugenio Garribba

Integrated ESI-MS/EPR/computational characterization of the binding of metal species to proteins: vanadium drug–myoglobin application

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Giuseppe Sciortino

, Agustí Lledós

, Pietro Vidossich

Bonding rearrangements in organometallic reactions: from orbitals to curly arrows

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2018 Giuseppe Sciortino

, Giuseppe Lubinu, Jean-Didier Maréchal, Eugenio Garribba

DFT Protocol for EPR Prediction of Paramagnetic Cu(II) Complexes and Application to Protein Binding Sites

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Jaime Rodríguez‐Guerra Pedregal

, Ignacio Funes‐Ardoiz

, Giuseppe Sciortino

, José‐Emilio Sánchez‐Aparicio

, Gregori Ujaque, Agustí Lledós, Jean‐Didie Maréchal

, Feliu Maseras

GARLEEK: Adding an extra flavor to ONIOM

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Jacobo Gómez-González, Diego G. Peña, Ghofrane Barka, Giuseppe Sciortino

, Jean-Didier Maréchal, Miguel Vázquez López, M. Eugenio Vázquez

Directed Self-Assembly of Trimeric DNA-Bindingchiral Miniprotein Helicates

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Giuseppe Sciortino

, Norbert Lihi

, Tamás Czine, Jean-Didier Maréchal

, Agustí Lledós

, Eugenio Garribba

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

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Daniele Sanna

, Valeria Ugone, Giuseppe Sciortino

, Péter Buglyó, Zsolt Bihari, Péter László Parajdi-Losonczi, Eugenio Garribba

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

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2017 Giuseppe Sciortino

, Jaime Rodríguez-Guerra Pedregal

, Agustí Lledós

, Eugenio Garribba

, Jean-Didier Maréchal

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

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Giuseppe Sciortino

, Daniele Sanna

, Valeria Ugone, Giovanni Micera, Agustí Lledós

, Jean-Didier Maréchal, Eugenio Garribba

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

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All papers authored by Giuseppe Sciortino