Publications by authors named "Elena Cubero"

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Characterization of Ligand Binding in Human Serum Albumin from Atomistic Energy Transfer Simulations.
Özge Ergün, Andrea Bertran-Mostazo, Elena Cubero, Carles Galdeano, Carles Curutchet

Small Methods· December 2025

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Allosteric Modulation of GCase Enhances Lysosomal Activity and Reduces ER Stress in GCase-Related Disorders.
Ilaria Fregno, Natalia Pérez-Carmona, Mikhail Rudinskiy, Tatiana Soldà, Timothy J Bergmann, Elena Cubero

Int J Mol Sci· May 2025

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Developing Allosteric Chaperones for -Associated Disorders-An Integrated Computational and Experimental Approach.
Marta Montpeyo, Natàlia Pérez-Carmona, Elena Cubero, Aida Delgado, Ana Ruano

Int J Mol Sci· December 2024

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Use of the Novel Site-Directed Enzyme Enhancement Therapy (SEE-Tx) Drug Discovery Platform to Identify Pharmacological Chaperones for Glutaric Acidemia Type 1.
Madalena Barroso, Alexandra Puchwein-Schwepcke, Lars Buettner, Ingrid Goebel, Katrin Küchler, Elena Cubero

J Med Chem· October 2024

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Discovery of allosteric regulators with clinical potential to stabilize alpha-L-iduronidase in mucopolysaccharidosis type I.
Elena Cubero, Ana Ruano, Aida Delgado, Xavier Barril, Sara Morales

PLoS One· May 2024

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Validation of a highly sensitive HaloTag-based assay to evaluate the potency of a novel class of allosteric β-Galactosidase correctors.
Mikhail Rudinskiy, Maria Pons-Vizcarra, Tatiana Soldà, Ilaria Fregno, Timothy Jan Bergmann, Elena Cubero

PLoS One· December 2023

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Extracting Atomic Contributions to Binding Free Energy Using Molecular Dynamics Simulations with Mixed Solvents (MDmix).
Daniel Alvarez-Garcia, Peter Schmidtke, Elena Cubero, Xavier Barril

Curr Drug Discov Technol· April 2022

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Emerging opportunities and concerns for drug discovery at serotonin 5-HT2B receptors.
José Brea, Julio Castro-Palomino, Sandra Yeste, Elena Cubero, Antonio Párraga

Curr Top Med Chem· September 2010

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Structural properties of g,t-parallel duplexes.
Anna Aviñó, Elena Cubero, Raimundo Gargallo, Carlos González, Modesto Orozco

J Nucleic Acids· February 2010

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Discovery of 5-HT6 receptor ligands based on virtual HTS.
Stefan Tasler, Jürgen Kraus, Andreas Wuzik, Oliver Müller, Andrea Aschenbrenner, Elena Cubero

Bioorg Med Chem Lett· November 2007

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Theoretical study of the Hoogsteen-Watson-Crick junctions in DNA.
Elena Cubero, F Javier Luque, Modesto Orozco

Biophys J· February 2006

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Destabilization of quadruplex DNA by 8-aminoguanine.
Jaime López de la Osa, Carlos González, Raimundo Gargallo, Manuel Rueda, Elena Cubero

Chembiochem· January 2006

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Theoretical study of the guanine --> 6-thioguanine substitution in duplexes, triplexes, and tetraplexes.
Nad'a Spacková, Elena Cubero, Jirí Sponer, Modesto Orozco

J Am Chem Soc· November 2004

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Exploring the counterion atmosphere around DNA: what can be learned from molecular dynamics simulations?
Manuel Rueda, Elena Cubero, Charles A Laughton, Modesto Orozco

Biophys J· August 2004

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Effect of bulky lesions on DNA: solution structure of a DNA duplex containing a cholesterol adduct.
Irene Gómez-Pinto, Elena Cubero, Susana G Kalko, Vania Monaco, Gijs van der Marel

J Biol Chem· June 2004

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Antiparallel triple helices. Structural characteristics and stabilization by 8-amino derivatives.
Anna Aviñó, Elena Cubero, Carlos González, Ramon Eritja, Modesto Orozco

J Am Chem Soc· December 2003

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Theoretical study of a new DNA structure: the antiparallel Hoogsteen duplex.
Elena Cubero, Nicola G A Abrescia, Juan A Subirana, F Javier Luque, Modesto Orozco

J Am Chem Soc· November 2003

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Theoretical study of alkyl-pi and aryl-pi interactions. Reconciling theory and experiment.
Jordi Ribas, Elena Cubero, F Javier Luque, Modesto Orozco

J Org Chem· October 2002

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Hoogsteen-based parallel-stranded duplexes of DNA. Effect of 8-amino-purine derivatives.
Elena Cubero, Anna Aviñó, Beatriz G de la Torre, Miriam Frieden, Ramón Eritja

J Am Chem Soc· March 2002

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