Javier Luque

Citat de

	Toate	Din 2018
Referințe bibliografice	21679	6062
h-index	80	38
i10-index	316	164

1200

600

300

900

1992199319941995199619971998199920002001200220032004200520062007200820092010201120122013201420152016201720182019202020212022202359 115 145 187 289 201 233 384 388 379 461 556 572 575 732 576 687 748 811 893 956 1073 1035 1146 1137 1100 994 957 1058 1074 1037 930

Acces public

Afișați-le pe toate

102 articole

29 de articole

disponibile

indisponibile

Pe baza cerințelor privind finanțarea

Coautori

Modesto OrozcoProfessor of Biochemistry, Universtity of BarcelonaAdresă de e-mail confirmată pe irbbarcelona.org
Xavier BarrilICREA Research Professor, University of BarcelonaAdresă de e-mail confirmată pe ub.edu
Diego Muñoz-TorreroFull Professor, Faculty of Pharmacy and Food Sciences, University of BarcelonaAdresă de e-mail confirmată pe ub.edu
Dario Estrinuniversity of buenos aires (UBA)- INQUIMAE - CONICETAdresă de e-mail confirmată pe qi.fcen.uba.ar
Marcelo MartiProf of Biological Chemistry, University of Buenos AiresAdresă de e-mail confirmată pe qi.fcen.uba.ar
Ignacio Soteras GutiérrezData Analytics mentorAdresă de e-mail confirmată pe ubiqum.com
Josep Ll. GelpíProfessor of Biochemistry. University of Barcelona - BSC - INB - ELIXIR-ESAdresă de e-mail confirmată pe ub.edu
Jordi Juárez JiménezUniversitat de BarcelonaAdresă de e-mail confirmată pe ub.edu
Alberto PerezUniversity of Florida, Department of ChemistryAdresă de e-mail confirmată pe chem.ufl.edu
Cristiano Viappianiprofessore di fisica applicata, Università di ParmaAdresă de e-mail confirmată pe unipr.it
Carles GaldeanoSerra Hunter Lecturer Professor at University of BarcelonaAdresă de e-mail confirmată pe ub.edu
Jordi Munoz-MuriedasUCBAdresă de e-mail confirmată pe ucb.com
Manuel RuedaCentro Nacional de Análisis Genómico, CNAGAdresă de e-mail confirmată pe cnag.eu
francesca SpyrakisAdresă de e-mail confirmată pe unipr.it
Carlos AlemánUniversitat Politècnica de CatalunyaAdresă de e-mail confirmată pe upc.edu
Bego Hernández OlasagarreBioinformaticianAdresă de e-mail confirmată pe fundacioace.com
Susana Kalko (ORCID:0000-0002-670...Senior Clinical Data Coordinator at VHIRAdresă de e-mail confirmată pe vhir.org
François DehezCNRS , University of LorraineAdresă de e-mail confirmată pe univ-lorraine.fr
Martino BolognesiProfessor of Biochemistry, University of MilanoAdresă de e-mail confirmată pe unimi.it
Chris ChipotUniversity of Lorraine — University of Illinois, Urbana-ChampaignAdresă de e-mail confirmată pe Univ-Lorraine.fr

Urmăriți

Javier Luque

University of Barcelona - Institut of Biomedicine

Adresă de e-mail confirmată pe ub.edu - Pagina de pornire

Biomolecular simulation - Computational chemistry - Drug design


Titlu Sortați după descrierea bibliografică Sortați după an Sortați după titlu	Citat de Citat de	Anul
Perspective on “Electrostatic interactions of a solute with a continuum. A direct utilization of ab initio molecular potentials for the prevision of solvent effects” Miertus S … FJ Luque, JM López, M Orozco Theoretical Chemistry Accounts 103, 343-345, 2000	916	2000
Theoretical methods for the description of the solvent effect in biomolecular systems M Orozco, FJ Luque Chemical Reviews 100 (11), 4187-4226, 2000	747	2000
Tautomerism and protonation of guanine and cytosine. Implications in the formation of hydrogen-bonded complexes C Colominas, FJ Luque, M Orozco Journal of the American Chemical Society 118 (29), 6811-6821, 1996	355	1996
Is polarization important in cation-π interactions? E Cubero, FJ Luque, M Orozco Proceedings of the National Academy of Sciences 95 (11), 5976-5980, 1998	315	1998
Dynamics of B-DNA on the microsecond time scale A Pérez, FJ Luque, M Orozco Journal of the American Chemical Society 129 (47), 14739-14745, 2007	307	2007
MDpocket: open-source cavity detection and characterization on molecular dynamics trajectories P Schmidtke, A Bidon-Chanal, FJ Luque, X Barril Bioinformatics 27 (23), 3276-3285, 2011	302	2011
Toward improved description of DNA backbone: revisiting epsilon and zeta torsion force field parameters M Zgarbová, FJ Luque, J Sponer, TE Cheatham III, M Otyepka, P Jurecka Journal of chemical theory and computation 9 (5), 2339-2354, 2013	278	2013
Hydrogen bond versus anti-hydrogen bond: a comparative analysis based on the electron density topology E Cubero, M Orozco, P Hobza, FJ Luque The Journal of Physical Chemistry A 103 (32), 6394-6401, 1999	270	1999
New tacrine− huperzine A hybrids (huprines): highly potent tight-binding acetylcholinesterase inhibitors of interest for the treatment of Alzheimer's disease P Camps, R El Achab, J Morral, D Muñoz-Torrero, A Badia, JE Baños, ... Journal of medicinal chemistry 43 (24), 4657-4666, 2000	250	2000
Nature of base stacking: reference quantum‐chemical stacking energies in ten unique B‐DNA base‐pair steps J Šponer, P Jurečka, I Marchan, FJ Luque, M Orozco, P Hobza Chemistry–A European Journal 12 (10), 2854-2865, 2006	245	2006
Design, synthesis, and biological evaluation of dual binding site acetylcholinesterase inhibitors: new disease-modifying agents for Alzheimer's disease P Muñoz-Ruiz, L Rubio, E García-Palomero, I Dorronsoro, ... Journal of medicinal chemistry 48 (23), 7223-7233, 2005	244	2005
Frontiers in molecular dynamics simulations of DNA A Pérez, FJ Luque, M Orozco Accounts of chemical research 45 (2), 196-205, 2012	243	2012
Binding site detection and druggability index from first principles J Seco, FJ Luque, X Barril Journal of medicinal chemistry 52 (8), 2363-2371, 2009	235	2009
Novel donepezil-based inhibitors of acetyl-and butyrylcholinesterase and acetylcholinesterase-induced β-amyloid aggregation P Camps, X Formosa, C Galdeano, T Gómez, D Munoz-Torrero, ... Journal of medicinal chemistry 51 (12), 3588-3598, 2008	234	2008
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 … I Bolea, J Juarez-Jimenez, C de los Rı́os, M Chioua, R Pouplana, ... Journal of medicinal chemistry 54 (24), 8251-8270, 2011	232	2011
Pyrano[3,2-c]quinoline−6-Chlorotacrine Hybrids as a Novel Family of Acetylcholinesterase- and β-Amyloid-Directed Anti-Alzheimer Compounds P Camps, X Formosa, C Galdeano, D Munoz-Torrero, L Ramirez, ... Journal of medicinal chemistry 52 (17), 5365-5379, 2009	227	2009
SCRF calculation of the effect of water on the topology of the molecular electrostatic potential FJ Luque, M Orozco, PK Bhadane, SR Gadre The Journal of Physical Chemistry 97 (37), 9380-9384, 1993	221	1993
Correlated ab initio study of nucleic acid bases and their tautomers in the gas phase, in a microhydrated environment and in aqueous solution Part 1. Cytosine SA Trygubenko, TV Bogdan, M Rueda, M Orozco, FJ Luque, J Šponer, ... Physical Chemistry Chemical Physics 4 (17), 4192-4203, 2002	216	2002
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	201	2011
Donepezil–tacrine hybrid related derivatives as new dual binding site inhibitors of AChE D Alonso, I Dorronsoro, L Rubio, P Munoz, E García-Palomero, ... Bioorganic & medicinal chemistry 13 (24), 6588-6597, 2005	200	2005

Sistemul nu poate realiza operația în acest moment. Încercați din nou mai târziu.

Articole 1–20

Referințe bibliografice pe an

Citate duplicat

Citate fuzionate

Adăugați coautoriCoautori

Urmăriți

Citat de

Coautori