Cikkek nyilvánosan hozzáférhető megbízással - Javier LuqueTovábbi információ
Sehol sem hozzáférhető: 26
Shielded hydrogen bonds as structural determinants of binding kinetics: application in drug design
P Schmidtke, FJ Luque, JB Murray, X Barril
Journal of the American Chemical Society 133 (46), 18903-18910, 2011
Megbízások: Government of Spain
Evidence for a new binding mode to GSK-3: Allosteric regulation by the marine compound palinurin
A Bidon-Chanal, A Fuertes, D Alonso, DI Pérez, A Martínez, FJ Luque, ...
European Journal of Medicinal Chemistry 60, 479-489, 2013
Megbízások: Government of Spain
Assessing the accuracy and performance of implicit solvent models for drug molecules: conformational ensemble approaches
M Kolar, J Fanfrlik, M Lepsik, F Forti, FJ Luque, P Hobza
The Journal of Physical Chemistry B 117 (19), 5950-5962, 2013
Megbízások: Government of Spain
Novel levetiracetam derivatives that are effective against the Alzheimer-like phenotype in mice: synthesis, in vitro, ex vivo, and in vivo efficacy studies
I Sola, E Aso, D Frattini, I Lopez-Gonzalez, A Espargaro, R Sabate, ...
Journal of medicinal chemistry 58 (15), 6018-6032, 2015
Megbízások: Government of Spain
Design, synthesis and biological evaluation of N-methyl-N-[(1, 2, 3-triazol-4-yl) alkyl] propargylamines as novel monoamine oxidase B inhibitors
O Di Pietro, N Alencar, G Esteban, E Viayna, N Szałaj, J Vázquez, ...
Bioorganic & medicinal chemistry 24 (20), 4835-4854, 2016
Megbízások: Government of Spain
A novel approach for deriving force field torsion angle parameters accounting for conformation-dependent solvation effects
M Zgarbova, FJ Luque, J Sponer, M Otyepka, P Jurecka
Journal of chemical theory and computation 8 (9), 3232-3242, 2012
Megbízások: Government of Spain
Mechanism of the pseudoirreversible binding of amantadine to the M2 proton channel
S Llabres, J Juarez-Jimenez, M Masetti, R Leiva, S Vazquez, S Gazzarrini, ...
Journal of the American Chemical Society 138 (47), 15345-15358, 2016
Megbízások: Government of Spain
Wild daffodils of the section Ganymedes from the Iberian Peninsula as a source of mesembrane alkaloids
NB Pigni, S Ríos-Ruiz, FJ Luque, F Viladomat, C Codina, J Bastida
Phytochemistry 95, 384-393, 2013
Megbízások: Government of Spain
Molecular simulation methods in drug discovery: a prospective outlook
X Barril, F Javier Luque
Journal of computer-aided molecular design 26, 81-86, 2012
Megbízások: Government of Spain
Assessing the Suitability of the Multilevel Strategy for the Conformational Analysis of Small Ligands
J Juárez-Jiménez, X Barril, M Orozco, R Pouplana, FJ Luque
The Journal of Physical Chemistry B 119 (3), 1164–1172, 2014
Megbízások: Government of Spain
Exploring the structural basis of the selective inhibition of monoamine oxidase A by dicarbonitrile aminoheterocycles: Role of Asn181 and Ile335 validated by spectroscopic and …
J Juárez-Jiménez, E Mendes, C Galdeano, C Martins, DB Silva, ...
Biochimica et Biophysica Acta (BBA)-Proteins and Proteomics 1844 (2), 389-397, 2014
Megbízások: European Commission, Government of Spain
Easy access to (2-imidazolin-4-yl) phosphonates by a microwave assisted multicomponent reaction
S Abas, C Estarellas, FJ Luque, C Escolano
Tetrahedron 71 (19), 2872-2881, 2015
Megbízások: Government of Spain
Structural analysis in nonsymbiotic hemoglobins: what can we learn from inner cavities?
F Spyrakis, FJ Luque, C Viappiani
Plant science 181 (1), 8-13, 2011
Megbízások: Government of Spain
First diastereoselective [3+ 2] cycloaddition reaction of diethyl isocyanomethylphosphonate and maleimides
C Arróniz, J Molina, S Abás, E Molins, JM Campanera, FJ Luque, ...
Organic & Biomolecular Chemistry 11 (10), 1640-1649, 2013
Megbízások: Government of Spain
Transferability and additivity of dihedral parameters in polarizable and nonpolarizable empirical force fields
M Zgarbová, AM Rosnik, FJ Luque, C Curutchet, P Jurečka
Journal of computational chemistry 36 (25), 1874-1884, 2015
Megbízások: Government of Spain
Structural, dynamical, and electronic transport properties of modified DNA duplexes containing size-expanded nucleobases
JR Blas, O Huertas, C Tabares, BG Sumpter, M Fuentes-Cabrera, ...
The Journal of Physical Chemistry A 115 (41), 11344-11354, 2011
Megbízások: Government of Spain
The DNA-forming properties of 6-selenoguanine
I Faustino, C Curutchet, FJ Luque, M Orozco
Physical Chemistry Chemical Physics 16 (3), 1101-1110, 2014
Megbízások: Government of Spain
Structure-based design and discovery of pyridyl-bearing fused bicyclic HIV-1 inhibitors: synthesis, biological characterization, and molecular modeling studies
B Huang, T Ginex, FJ Luque, X Jiang, P Gao, J Zhang, D Kang, ...
Journal of Medicinal Chemistry 64 (18), 13604-13621, 2021
Megbízások: National Natural Science Foundation of China, Government of Spain
Pharmacological tools based on imidazole scaffold proved the utility of pde10a inhibitors for Parkinson’s disease
AM Garcia, IG Salado, DI Perez, J Brea, JA Morales-Garcia, ...
Future medicinal chemistry 9 (8), 731-748, 2017
Megbízások: Government of Spain
Assessing the performance of mixed strategies to combine lipophilic molecular similarity and docking in virtual screening
J Vazquez, A Deplano, A Herrero, E Gibert, E Herrero, FJ Luque
Journal of Chemical Information and Modeling 60 (9), 4231-4245, 2020
Megbízások: Government of Spain
A publikációs és a finanszírozási adatokat számítógépes program határozza meg, automatikusan.