José Pedro Cerón-Carrasco
José Pedro Cerón-Carrasco
Centro Universitario de la Defensa. Academia General del Aire. Universidad Politécnica de Cartagena
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MCC950 closes the active conformation of NLRP3 to an inactive state
A Tapia-Abellán, D Angosto-Bazarra, H Martínez-Banaclocha, ...
Nature chemical biology 15 (6), 560-564, 2019
Solvent polarity scales: determination of new ET(30) values for 84 organic solvents
JP Cerón‐Carrasco, D Jacquemin, C Laurence, A Planchat, C Reichardt, ...
Journal of Physical Organic Chemistry 27 (6), 512-518, 2014
Structure-based discovery of clinically approved drugs as Zika virus NS2B-NS3 protease inhibitors that potently inhibit Zika virus infection in vitro and in vivo
S Yuan, JFW Chan, H den-Haan, KKH Chik, AJ Zhang, CCS Chan, ...
Antiviral research 145, 33-43, 2017
Assessing the importance of proton transfer reactions in DNA
D Jacquemin, J Zuniga, A Requena, JP Céron-Carrasco
Accounts of chemical research 47 (8), 2467-2474, 2014
Intermolecular proton transfer in microhydrated guanine− cytosine base pairs: A new mechanism for spontaneous mutation in DNA
JP Cerón-Carrasco, A Requena, J Zúñiga, C Michaux, EA Perpète, ...
The Journal of Physical Chemistry A 113 (39), 10549-10556, 2009
A review of ligand-based virtual screening web tools and screening algorithms in large molecular databases in the age of big data
AJ Banegas-Luna, JP Cerón-Carrasco, H Pérez-Sánchez
Future medicinal chemistry 10 (22), 2641-2658, 2018
Effects of hydration on the proton transfer mechanism in the Adenine− Thymine base pair
JP Cerón-Carrasco, A Requena, C Michaux, EA Perpète, D Jacquemin
The Journal of Physical Chemistry A 113 (27), 7892-7898, 2009
Selective in vitro and in silico butyrylcholinesterase inhibitory activity of diterpenes and rosmarinic acid isolated from Perovskia atriplicifolia Benth. and Salvia glutinosa L.
FS Senol, S Ślusarczyk, A Matkowski, A Pérez-Garrido, ...
Phytochemistry 133, 33-44, 2017
Combined effect of stacking and solvation on the spontaneous mutation in DNA
JP Cerón-Carrasco, J Zuniga, A Requena, EA Perpete, C Michaux, ...
Physical Chemistry Chemical Physics 13 (32), 14584-14589, 2011
Electric field induced DNA damage: an open door for selective mutations
JP Cerón-Carrasco, D Jacquemin
Chemical communications 49 (69), 7578-7580, 2013
Determination of a Solvent Hydrogen-Bond Acidity Scale by Means of the Solvatochromism of Pyridinium-N-phenolate Betaine Dye 30 and PCM-TD-DFT …
JP Cerón-Carrasco, D Jacquemin, C Laurence, A Planchat, C Reichardt, ...
The Journal of Physical Chemistry B 118 (17), 4605-4614, 2014
Electric-field induced mutation of DNA: a theoretical investigation of the GC base pair
JP Cerón-Carrasco, D Jacquemin
Physical Chemistry Chemical Physics 15 (13), 4548-4553, 2013
New insights on the molecular features and electrophysiological properties of dinotefuran, imidacloprid and acetamiprid neonicotinoid insecticides
JY Le Questel, J Graton, JP Cerón-Carrasco, D Jacquemin, A Planchat, ...
Bioorganic & medicinal chemistry 19 (24), 7623-7634, 2011
When virtual screening yields to inactive drugs: dealing with false theoretical-friends.
JP Cerón-Carrasco
Chemmedchem, 2022
Visual detection of fluoride ion based on ICT mechanism
S Sahu, Y Sikdar, R Bag, DK Maiti, JP Cerón–Carrasco, S Goswami
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 213, 354-360, 2019
Using theory to reinterpret the kinetics of monofunctional platinum anticancer drugs: stacking matters
D Veclani, A Melchior, M Tolazzi, JP Cerón-Carrasco
Journal of the American Chemical Society 140 (43), 14024-14027, 2018
How DNA is damaged by external electric fields: selective mutation vs. random degradation
JP Cerón-Carrasco, J Cerezo, D Jacquemin
Physical Chemistry Chemical Physics 16 (18), 8243-8246, 2014
Antioxidant properties of β-carotene isomers and their role in photosystems: insights from ab initio simulations
J Cerezo, J Zúñiga, A Bastida, A Requena, JP Ceron-Carrasco, ...
The Journal of Physical Chemistry A 116 (13), 3498-3506, 2012
Evaluation of estrogenic activity of red clover (Trifolium pratense L.) sprouts cultivated under different conditions by content of isoflavones, calorimetric study and …
G Budryn, I Gałązka-Czarnecka, E Brzozowska, J Grzelczyk, R Mostowski, ...
Food chemistry 245, 324-336, 2018
A theoretical study of the reaction of β-carotene with the nitrogen dioxide radical in solution
JP Cerón-Carrasco, A Bastida, A Requena, J Zúñiga, B Miguel
The Journal of Physical Chemistry B 114 (12), 4366-4372, 2010
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