J. Juárez-Jiménez

发表

Exploring the size limit of templates for inhibitors of the M2 ion channel of influenza A virus.

F. J. Luque, R. Lamb, W. DeGrado, 2011, Journal of medicinal chemistry.

Mechanism of the Pseudoirreversible Binding of Amantadine to the M2 Proton Channel.

F. J. Luque, A. Cavalli, J. Juárez-Jiménez, 2016, Journal of the American Chemical Society.

Easily Accessible Polycyclic Amines that Inhibit the Wild-Type and Amantadine-Resistant Mutants of the M2 Channel of Influenza A Virus

F. J. Luque, R. Lamb, W. DeGrado, 2014, Journal of medicinal chemistry.

Assessing the suitability of the multilevel strategy for the conformational analysis of small ligands.

F. J. Luque, X. Barril, M. Orozco, 2015, The journal of physical chemistry. B.

Unveiling a novel transient druggable pocket in BACE-1 through molecular simulations: Conformational analysis and binding mode of multisite inhibitors

Charles A Laughton, F. J. Luque, F Javier Luque, 2017, PloS one.

Tetrahydrobenzo[h][1,6]naphthyridine-6-chlorotacrine hybrids as a new family of anti-Alzheimer agents targeting β-amyloid, tau, and cholinesterase pathologies.

F. J. Luque, J. Juárez-Jiménez, R. Sabaté, 2014, European journal of medicinal chemistry.

Design, synthesis and biological evaluation of N-methyl-N-[(1,2,3-triazol-4-yl)alkyl]propargylamines as novel monoamine oxidase B inhibitors.

F. J. Luque, J. Juárez-Jiménez, G. Esteban, 2016, Bioorganic & medicinal chemistry.

Dynamic design: manipulation of millisecond timescale motions on the energy landscape of cyclophilin A†

J. Michel, J. Juárez-Jiménez, M. Walkinshaw, 2018, Chemical science.

A Virtual Reality Environment for Interactive Molecular Dynamics Simulations of Complex Conformational Changes in Proteins

Michael B. O'Connor, J. Michel, J. Juárez-Jiménez, 2020 .

A fluorogenic probe for granzyme B enables in-biopsy evaluation and screening of response to anticancer immunotherapies

John C. Dawson, N. Carragher, J. Michel, 2022, Nature Communications.

A Virtual Reality Ensemble Molecular Dynamics Workflow to Study Complex Conformational Changes in Proteins

Michael B. O'Connor, J. Michel, J. Juárez-Jiménez, 2020 .

Atomic Level Characterisation of Millisecond-Time Scale Protein Motions through a Combined Molecular Simulations and NMR Approach

J. Michel, J. Juárez-Jiménez, M. Walkinshaw, 2018, bioRxiv.

Tuning the local solvent composition at a drug carrier surface: the effect of dimethyl sulfoxide/water mixture on the photofunctional properties of hypericin-β-lactoglobulin complexes.

F. J. Luque, J. Juárez-Jiménez, C. Viappiani, 2017, Journal of materials chemistry. B.

Tetrahydrobenzothiophene carboxamides: Beyond the kinase domain and into the fatty acid realm.

J. Juárez-Jiménez, T. Helleday, F. J. Piedrafita, 2017, Bioorganic & Medicinal Chemistry Letters.

First homology model of Plasmodium falciparum glucose-6-phosphate dehydrogenase: Discovery of selective substrate analog-based inhibitors as novel antimalarial agents.

F. J. Luque, J. Juárez-Jiménez, J. Lameira, 2018, European journal of medicinal chemistry.

Exploring the structural basis of the selective inhibition of monoamine oxidase A by dicarbonitrile aminoheterocycles: role of Asn181 and Ile335 validated by spectroscopic and computational studies.

F. J. Luque, J. Juárez-Jiménez, R. Ramsay, 2014, Biochimica et biophysica acta.

Synthesis, biological evaluation, and molecular modeling of donepezil and N-[(5-(benzyloxy)-1-methyl-1H-indol-2-yl)methyl]-N-methylprop-2-yn-1-amine hybrids as new multipotent cholinesterase/monoamine oxidase inhibitors for the treatment of Alzheimer's disease.

Irene Bolea, F. J. Luque, Jordi Juárez-Jiménez, 2011, Journal of medicinal chemistry.

Synthesis and multitarget biological profiling of a novel family of rhein derivatives as disease-modifying anti-Alzheimer agents.

F. J. Luque, F Javier Luque, Vincenza Andrisano, 2014, Journal of medicinal chemistry.

Blinded predictions of binding modes and energies of HSP90-α ligands for the 2015 D3R grand challenge.

Julien Michel, Antonia S. J. S. Mey, Jordi Juárez-Jiménez, 2016, Bioorganic & medicinal chemistry.

New polycyclic dual inhibitors of the wild type and the V27A mutant M2 channel of the influenza A virus with unexpected binding mode.

F. J. Luque, L. Naesens, J. Juárez-Jiménez, 2015, European journal of medicinal chemistry.

Investigating Cryptic Binding Sites by Molecular Dynamics Simulations.

Francesco L Gervasio, Julien Michel, Gregory R Bowman, 2020, Accounts of chemical research.

The complex of hypericin with β-lactoglobulin has antimicrobial activity with potential applications in dairy industry.

F. J. Luque, J. Juárez-Jiménez, C. Viappiani, 2015, Journal of dairy science.

1,2,3,4-Tetrahydrobenzo[h][1,6]naphthyridines as a new family of potent peripheral-to-midgorge-site inhibitors of acetylcholinesterase: synthesis, pharmacological evaluation and mechanistic studies.

F. J. Luque, V. Andrisano, M. Bartolini, 2014, European journal of medicinal chemistry.

Conformational landscape of small ligands: a multilevel strategy to determine the conformational penalty of bioactive ligands

F. Javier Luque, Xavier Barril, F. J. Luque, 2015 .

Discovery and In Vivo Proof of Concept of a Highly Potent Dual Inhibitor of Soluble Epoxide Hydrolase and Acetylcholinesterase for the Treatment of Alzheimer’s Disease

M. Bartolini, M. Loza, J. Brea, 2022, Journal of medicinal chemistry.

Lenalidomide Stabilizes Protein–Protein Complexes by Turning Labile Intermolecular H-Bonds into Robust Interactions

X. Barril, J. Juárez-Jiménez, Marina Miñarro-Lleonar, 2023, Journal of medicinal chemistry.