TOLBATOV, IOGANN
TOLBATOV, IOGANN
Dipartimento di Fisica e Astronomia "Galileo Galilei" - DFA
Insight into uranyl binding by cyclic peptides from molecular dynamics and density functional theory
2025 Platts, J. A.; Tolbatov, I.
Computational study on the mechanism for the synthesis of the active pharmaceutical ingredients nitrofurantoin and dantrolene in both solution and mechanochemical conditions
2024 Galeas, Dayana M; Tolbatov, Iogann; Colacino, Evelina; Maseras, Feliu
Detailed mechanism of DNA/RNA nucleobase substituting bridging ligand in diruthenium (II,III) and dirhodium (II,II) tetraacetato paddlewheel complexes: Protonation of the leaving acetate is crucial
2024 Tolbatov, Iogann; Marzo, Tiziano; Umari, Paolo; La Mendola, Diego; Marrone, Alessandro
Dimolybdenum (II,II) paddlewheel complexes bearing non-steroidal anti-inflammatory drug ligands: Insights into the chemico-physical profile and first biological assessment
2024 Chiaverini, Lorenzo; Notarstefano, Valentina; Tolbatov, Iogann; Umari, Paolo; Giorgini, Elisabetta; Ciccone, Lidia; Di Leo, Riccardo; Trincavelli, Letizia; Giacomelli, Chiara; Marchetti, Laura; Marzo, Tiziano; La Mendola, Diego; Marrone, Alessandro
Diruthenium Paddlewheel Complexes Attacking Proteins: Axial Versus Equatorial Coordination
2024 Tolbatov, Iogann; Umari, Paolo; Marrone, Alessandro
Elucidating the ruthenium-mediated conversion of aryl alkynes to alkoxy(benzyl)carbene and benzyl carbonyl complexes
2024 Stampatori, Simone; Tolbatov, Iogann; Zacchini, Stefano; Pampaloni, Guido; Marchetti, Fabio; Re, Nazzareno; Biancalana, Lorenzo
Mechanism of Action of Antitumor Au(I) N-Heterocyclic Carbene Complexes: A Computational Insight on the Targeting of TrxR Selenocysteine
2024 Tolbatov, Iogann; Umari, Paolo; Marrone, Alessandro
Molecular Engineering of 3-Arylated Tetrazo[1,2-b]indazoles: Divergent Synthesis and Structure-property Relationships
2024 Bousfiha, Asmae; Abidi, Oumaima; Lemetayer, Louis; Sood, Navya; Tolbatov, Iogann; Barrois, Fabien; Daher, Ahmad; Cattey, Hélène; Cordier, Marie; Hissler, Muriel -; Hierso, Jean-Cyrille; Fleurat-Lessard, Paul; Bouit, Pierre-Antoine; Roger, Julien
Noble Metal Nanoparticles with Nanogel Coatings: Coinage Metal Thiolate-Stabilized Glutathione Hydrogel Shells
2024 Basu, Arghyadeep; Tolbatov, Iogann; Marrone, Alessandro; Vaskevich, Alexander; Chuntonov, Lev
Non‐medical applications of inorganic medicines. A switch based on mechanistic knowledge
2024 Cirri, Damiano; Di Leo, Riccardo; Chiaverini, Lorenzo; Tolbatov, Iogann; Marrone, Alessandro; Messori, Luigi; Pratesi, Alessandro; La Mendola, Diego; Marzo, Tiziano
The binding of auranofin at DNA/RNA nucleobases: A DFT assessment
2024 Tolbatov, I.; Umari, P.; Marzo, T.; Chiaverini, L.; La Mendola, D.; Marrone, A.
The binding of diruthenium (II,III) and dirhodium (II,II) paddlewheel complexes at DNA/RNA nucleobases: Computational evidences of an appreciable selectivity toward the AU base pairs
2024 Tolbatov, Iogann; Umari, Paolo; Marrone, Alessandro
Unveiling the mechanism of activation of the Te(IV) prodrug AS101. New chemical insights towards a better understanding of its medicinal properties
2024 Chiaverini, Lorenzo; Tolbatov, Iogann; Marrone, Alessandro; Marzo, Tiziano; Biver, Tarita; La Mendola, Diego
Atomic scale interfacial magnetism and origin of metal-insulator transition in (LaNiO$$_3$$)$$_n$$/(CaMnO$$_3$$)$$_m$$ superlattices: a first principles study
2023 Jilili, J.; Tolbatov, I.; Cossu, F.; Rahaman, A.; Fiser, B.; Kahaly, M. Upadhyay.
Auranofin Targeting the NDM-1 Beta-Lactamase: Computational Insights into the Electronic Configuration and Quasi-Tetrahedral Coordination of Gold Ions
2023 Tolbatov, Iogann; Marrone, Alessandro
Computational Studies Unveiling the Mechanism of Action of Selected Pt-, Te-, Au-, Rh-, Ru-Based Drugs
2023 Tolbatov, Iogann; Marrone, Alessandro
Diruthenium(ii,iii) paddlewheel complexes: effects of bridging and axial ligands on anticancer properties
2023 Tolbatov, Iogann; Barresi, Elisabetta; Taliani, Sabrina; La Mendola, Diego; Marzo, Tiziano; Marrone, Alessandro
Inorganic Drugs as a Tool for Protein Structure Solving and Studies on Conformational Changes
2023 Tolbatov, Iogann; Marrone, Alessandro; Shepard, William; Chiaverini, Lorenzo; Upadhyay Kahaly, Mousumi; La Mendola, Diego; Marzo, Tiziano; Ciccone, Lidia
Mechanistic Evaluations of the Effects of Auranofin Triethylphosphine Replacement with a Trimethylphosphite Moiety
2023 Ronga, Luisa; Tolbatov, Iogann; Giorgi, Ester; Pisarek, Paulina; Enjalbal, Christine; Marrone, Alessandro; Tesauro, Diego; Lobinski, Ryszard; Marzo, Tiziano; Cirri, Damiano; Pratesi, Alessandro
NHC-gold(I)-alkyne complexes induced hepatocellular carcinoma cell death through bioorthogonal activation by palladium complex in living system
2023 Lu, Yunlong; Liu, Yuanhao; Liang, Zhenlin; Ma, Xiaoyan; Liu, Lijuan; Wen, Zhenfan; Tolbatov, Iogann; Marrone, Alessandro; Liu, Wukun