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 | 367 | 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 | 207 | 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 | 139 | 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 | 116 | 2014 |
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 | 98 | 2018 |
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 | 93 | 2009 |
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 | 85 | 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 | 70 | 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 | 64 | 2011 |
Electric field induced DNA damage: an open door for selective mutations JP Cerón-Carrasco, D Jacquemin Chemical communications 49 (69), 7578-7580, 2013 | 62 | 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 | 58 | 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 | 56 | 2013 |
When virtual screening yields to inactive drugs: dealing with false theoretical-friends. JP Cerón-Carrasco Chemmedchem, 2022 | 54 | 2022 |
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 | 50 | 2011 |
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 | 49 | 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 | 49 | 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 | 48 | 2014 |
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 | 46 | 2018 |
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 | 46 | 2012 |
Intermolecular Carbonyl–Olefin Metathesis with Vinyl Ethers Catalyzed by Homogeneous and Solid Acids in Flow. A Leyva–Pérez, MÁ Rivero-Crespo, M Tejeda–Serrano, ... Angewandte Chemie International Edition, 2019 | 44* | 2019 |