Publications

OUR LATEST PUBLICATIONS

Our group has a high level of research production and publication. In this section, some of the latest publications are shown.

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Molecular Modeling for Artificial Metalloenzyme Design and Optimization
L. Cotchico, et al.

Acc. Chem. Res., 2020 (Q1, IF: 21.661)

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GPathFinder: Identification of Ligand-Binding Pathways by a Multi-Objective Genetic Algorithm
J.E. Sánchez-Aparicio, et al.

Int. J. Mol. Sci, 2019 (Q2, IF: 4.183)

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Computational insight into the interaction of oxaliplatin with insulin
G. Sciortino, et al.

Metallomics, 2019 (Q2, IF: 3.571)

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Microsolvation and Encapsulation Effects on Supramolecular Catalysis: C−C Reductive Elimination inside [Ga4L6]12- Metallocage
G. Norjmaa, et al.

JACS, 2019 (Q1, IF: 14.695)

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Validation and Applications of Protein–Ligand Docking Approaches Improved for Metalloligands with Multiple Vacant Sites
G. Sciortino, et al.

Inor. Chem., 2019 (Q1, IF: 4.850)

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An Artificial Heme Enzyme for Cyclopropanation Reactions
L. Villarino, et al.

Angewandte, 2018 (Q1, IF: 12.257)

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