F J Luque
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Explore the profile of F J Luque including associated specialties, affiliations and a list of published articles.
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44
Citations
345
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Recent Articles
1.
Cunha R, Romero-Tellez S, Lipparini F, Luque F, Curutchet C
J Comput Chem
. 2025 Jan;
46(2):e70027.
PMID: 39797647
Continuum solvation models such as the polarizable continuum model and the conductor-like screening model are widely used in quantum chemistry, but their application to large biosystems is hampered by their...
2.
Delcanale P, Rodriguez-Amigo B, Juarez-Jimenez J, Luque F, Abbruzzetti S, Agut M, et al.
J Mater Chem B
. 2020 Apr;
5(8):1633-1641.
PMID: 32263935
Aggregation is a major problem for the anti-microbial photodynamic applications of hydrophobic photosensitizers since it strongly reduces the amount of singlet oxygen generated in aqueous solutions. Binding of hypericin (Hyp)...
3.
Torres A, Luque F, Tortajada J, Arroyo-de Dompablo M
Sci Rep
. 2019 Jul;
9(1):9644.
PMID: 31273248
Rechargeable lithium-ion batteries dominate the consumer electronics and electric vehicle markets. However, concerns on Li availability have prompted the development of alternative high energy density electrochemical energy storage systems. Rechargeable...
4.
Estarellas C, Capece L, Seira C, Bidon-Chanal A, Estrin D, Luque F
Adv Protein Chem Struct Biol
. 2016 Aug;
105:59-80.
PMID: 27567484
Globins are a family of proteins characterized by the presence of the heme prosthetic group and involved in variety of biological functions in the cell. Due to their biological relevance...
5.
Ginex T, Munoz-Muriedas J, Herrero E, Gibert E, Cozzini P, Luque F
J Comput Chem
. 2016 Jan;
37(13):1147-62.
PMID: 26813046
Since the development of structure-activity relationships about 50 years ago, 3D-QSAR methods belong to the most refined ligand-based in silico techniques for prediction of biological data using physicochemical molecular fields....
6.
Martins G, Brito A, Nogueira R, Urena M, Fernandez D, Luque F, et al.
J Environ Manage
. 2013 Mar;
119:76-84.
PMID: 23454416
European countries are facing increasing pressures on their water resources despite stringent regulations and systematic efforts on environmental protection. In this context, research and innovation play a strategic role reinforcing...
7.
Capece L, Marti M, Bidon-Chanal A, Nadra A, Luque F, Estrin D
Proteins
. 2008 Dec;
75(4):885-94.
PMID: 19089945
The influence of pressure on the equilibrium between five-(5c) and six-coordination (6c) forms in neuroglobin (Ngb) and myoglobin (Mb) has been examined by means of molecular dynamics (MD) simulations at...
8.
Alonso D, Dorronsoro I, Rubio L, Munoz P, Garcia-Palomero E, Del Monte M, et al.
Bioorg Med Chem
. 2005 Oct;
13(24):6588-97.
PMID: 16230018
A new series of donepezil-tacrine hybrid related derivatives have been synthesised as dual acetylcholinesterase inhibitors that could bind simultaneously to the peripheral and catalytic sites of the enzyme. These new...
9.
Barril X, Orozco M, Luque F
Mini Rev Med Chem
. 2002 Oct;
1(3):255-66.
PMID: 12369972
During the last years, solving the X-ray crystallographic structure of both the unliganded acetylcholinesterase (AChE) and AChE complexes with various inhibitors has provided valuable knowledge of the interactions that mediate...
10.
Barril X, Kalko S, Orozco M, Luque F
Mini Rev Med Chem
. 2002 Oct;
2(1):27-36.
PMID: 12369955
A large amount of structural information on AChE and AChE-inhibitor complexes is currently available. Based on that, molecular modeling studies can be intensively used to gain insight into the mechanism...