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Results 1 - 10 of about 99
Original articles in indexed journals - Systems Pharmacology
Falaguera M, Mestres J. Illuminating the Chemical Space of Untargeted Proteins. Journal of Chemical Information and Modeling, 2023. . PMID: 37074232 . DOI: 10.1021/acs.jcim.2c01364.
2023
Original articles in indexed journals - Systems Pharmacology
Gray B, Baruteau AE, Antolin AA, Pittman A, Sarganas G, Molokhia M, Blom MT, Bastiaenen R, Bardai A, Priori SG, Napolitano C, Weeke PE, Shakir SA, Haverkamp W, Mestres J, Winkel B, Witney AA, Chis-Ster I, Sangaralingam A, Camm AJ, Tfelt-Hansen J, Roden DM, Tan HL, Garbe E, Sturkenboom M, Behr ER. Rare Variation in Drug Metabolism and Long QT Genes and the Genetic Susceptibility to Acquired Long QT Syndrome. Circ Genom Precis Med, 2022; 15(1):e003391. PMID: 35113648 . DOI: 10.1161/CIRCGEN.121.003391.
2022
Original articles in indexed journals - Systems Pharmacology
Zahoránszky-Kőhalmi G, Siramshetty VB, Kumar P, Gurumurthy M, Grillo B, Mathew B, Metaxatos D, Backus M, Mierzwa T, Simon R, Grishagin I, Brovold L, Mathé EA, Hall MD, Michael SG, Godfrey AG, Mestres J, Jensen LJ, Oprea TI. A Workflow of Integrated Resources to Catalyze Network Pharmacology Driven COVID-19 Research. J Chem Inf Model, 2022. PMID: 35057621 . DOI: 10.1021/acs.jcim.1c00431.
2022
Original articles in indexed journals - Systems Pharmacology
Falaguera MJ, Mestres J. Congenericity of Claimed Compounds in Patent Applications. Molecules, 2021; 30;26(17): 5253. PMID: 34500686 . DOI: 10.3390/molecules26175253.
2021
Original articles in indexed journals - Systems Pharmacology
Faria M, Prats E, Rosas Ramírez JR, Bellot M, Bedrossiantz J, Pagano M, Valls A, Gomez-Canela C, Porta JM, Mestres J, Garcia-Reyero N, Faggio C, Gómez Oliván LM, Raldua D. Androgenic activation, impairment of the monoaminergic system and altered behavior in zebrafish larvae exposed to environmental concentrations of fenitrothion. Sci Total Environ, 2021; 775:145671. PMID: 33621872 . DOI: 10.1016/j.scitotenv.2021.145671.
2021
Original articles in indexed journals - Systems Pharmacology
Falaguera MJ, Mestres J. Identification of the Core Chemical Structure in SureChEMBL Patents. J Chem Inf Model, 2021; 24;61(5): 2241-2247. PMID: 33929850 . DOI: 10.1021/acs.jcim.1c00151.
2021
Original articles in indexed journals - Systems Pharmacology
Sánchez-Cruz N, Medina-Franco JL, Mestres J, Barril X. Extended connectivity interaction features: improving binding affinity prediction through chemical description. Bioinformatics, 2021; 37(10):1376-1382. PMID: 33226061 . DOI: 10.1093/bioinformatics/btaa982.
2021
Original articles in indexed journals - Systems Pharmacology
Johnson C, Ahlberg E, Anger LT et al (including Mestres J). Skin sensitization in silico protocol. Regul Toxicol Pharmacol, 2020; 116:104688. PMID: 32621976 . DOI: 10.1016/j.yrtph.2020.104688.
2020
Original articles in indexed journals - Systems Pharmacology
Mestres J. The target landscape of N4-hydroxycytidine based on its chemical neighborhood. bioRxiv, 2020 DOI: 10.1101/2020.03.30.016485.
2020
Original articles in indexed journals - Systems Pharmacology
Martí-Bonmatí L, Alberich-Bayarri Á, Ladenstein R, Blanquer I, Segrelles JD, Cerdá-Alberich L, Gkontra P, Hero B, García-Aznar JM, Keim D, Jentner W, Seymour K, Jiménez-Pastor A, González-Valverde I, Martínez de Las Heras B, Essiaf S, Walker D, Rochette M, Bubak M, Mestres J, Viceconti M, Martí-Besa G, Cañete A, Richmond P, Wertheim KY, Gubala T, Kasztelnik M, Meizner J, Nowakowski P, Gilpérez S, Suárez A, Aznar M, Restante G, Neri E. PRIMAGE project: predictive in silico multiscale analytics to support childhood cancer personalised evaluation empowered by imaging biomarkers. Eur Radiol Exp, 2020; 4(1):22. PMID: 32246291 . DOI: 10.1186/s41747-020-00150-9.
2020
