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Results: 100

Jesus V. de Julián-Ortiz, Rafael Gozalbes, Emili Besalú
Discriminating Drug-like Compounds by Partition Trees with Quantum Similarity Indices and Graph Invariants
Curr Pharm Des., 2016, 22, 5179-5195
DOI: 10.2174/1381612822666160601100218

Debasis Das, Jaydeep Adhikary, Aratrika Chakraborty, Sanchari Dasgupta, ShyamalKumar Chattopadhyay, Rafał Kruszynski, Agata Trzesowska-Kruszynska, Stepan Stepanovic, Maja Gruden-Pavlović, Marcel Swart
Unique mononuclear MnII complexes of end-off compartmental Schiff base ligand: experimental and theoretical study on their bio-relevant catalytic promiscuity
Dalton Trans., 2016, 45, 12409-12422
DOI: 10.1039/C6DT00625F

Marta Soler, Lidia Feliu, Marta Planas, Xavi Ribas, Miquel Costas
Peptide-mediated vectorization of metal complexes: conjugation strategies and biomedical applications
Dalton Trans., 2016, 45, 12970-12982
DOI: 10.1039/C5DT04529K

Teresa Corona, Anna Company
Nitrous oxide activation by a cobalt(ii ) complex for aldehyde oxidation under mild conditions
Dalton Trans., 2016, 45, 14530-14533
DOI: 10.1039/C6DT01704E

Francisco Olmo, Olaf Cussó, Clotilde Marín, MariaJosé Rosales, Kristína Urbanová, R. Luise Krauth-Siegel, Miquel Costas, Xavi Ribas, Manuel Sánchez-Moreno
In vitro and in vivo identification of tetradentated polyamine complexes as highly efficient metallodrugs against Trypanosoma cruzi
Experimental Parasitology, 2016, 164, 20-30
DOI: 10.1016/j.exppara.2016.02.004

Jesus De Julián-Ortiz, Begoña Verdejo, Víctor Polo, Emili Besalú, Enrique García-España
Molecular Rearrangement of an Aza-Scorpiand Macrocycle Induced by pH: A Computational Study
IJMS, 2016, 17, 1131-
DOI: 10.3390/ijms17071131
Keywords: Predictive Chemistry

Marcos Gil-Sepulcre, Jordan C. Axelson, Joan Aguiló, Lluís Solà-Hernández, Laia Francàs, Albert Poater, Lluís Blancafort, Jordi Benet-Buchholz, Gonzalo Guirado, Lluís Escriche, Antoni Llobet, Roger Bofill, Xavier Sala
Synthesis and Isomeric Analysis of RuII Complexes Bearing Pentadentate Scaffolds
Inorg. Chem. , 2016, 55, 11216-11229
DOI: 10.1021/acs.inorgchem.6b01755
Keywords: Light-driven synthesis, Excited states

Gabriella Skara, Martí Gimferrer, Frank De Proft, Pedro Salvador, Balazs Pinter
Scrutinizing the Noninnocence of Quinone Ligands in Ruthenium Complexes: Insights from Structural, Electronic, Energy, and Effective Oxidation State Analyses
Inorg. Chem., 2016, 55, 2185-2199
DOI: 10.1021/acs.inorgchem.5b02543

Mayank Puri, Anna Company, Gerard Sabenya, Miquel Costas, Lawrence Que Jr.
Oxygen Atom Exchange between H2 O and Non-Heme Oxoiron(IV) Complexes: Ligand Dependence and Mechanism
Inorg. Chem., 2016, 55, 5818-5827
DOI: 10.1021/acs.inorgchem.6b00023

Emili Besalú
Fast Modeling of Binding Affinities by Means of Superposing Significant Interaction Rules (SSIR) Method
Int. J. Mol. Sci., 2016, 17, 827
DOI: 10.3390/ijms17060827

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