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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Impact of Cu(II) and Al(III) on the conformational landscape of Amyloidβ 1-42
L. Roldán-Martín, et al.

PCCP, 2021 (Q1, IF: 3.430)

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BioMetAll: Identifying Metal-Binding Sites in Proteins fromBackbone Preorganization
J.E. Sánchez-Aparicio, et al.

JCIM, 2021 (Q1, IF: 4.549)

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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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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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