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A Workflow of Integrated Resources to Catalyze Network Pharmacology Driven COVID-19 Research.
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. Zahoránszky-Kőhalmi G, et al. Among authors: mestres j. J Chem Inf Model. 2022 Feb 14;62(3):718-729. doi: 10.1021/acs.jcim.1c00431. Epub 2022 Jan 20. J Chem Inf Model. 2022. PMID: 35057621 Free PMC article.
Evaluation of QSAR models for predicting mutagenicity: outcome of the Second Ames/QSAR international challenge project.
Furuhama A, Kitazawa A, Yao J, Matos Dos Santos CE, Rathman J, Yang C, Ribeiro JV, Cross K, Myatt G, Raitano G, Benfenati E, Jeliazkova N, Saiakhov R, Chakravarti S, Foster RS, Bossa C, Battistelli CL, Benigni R, Sawada T, Wasada H, Hashimoto T, Wu M, Barzilay R, Daga PR, Clark RD, Mestres J, Montero A, Gregori-Puigjané E, Petkov P, Ivanova H, Mekenyan O, Matthews S, Guan D, Spicer J, Lui R, Uesawa Y, Kurosaki K, Matsuzaka Y, Sasaki S, Cronin MTD, Belfield SJ, Firman JW, Spînu N, Qiu M, Keca JM, Gini G, Li T, Tong W, Hong H, Liu Z, Igarashi Y, Yamada H, Sugiyama KI, Honma M. Furuhama A, et al. Among authors: mestres j. SAR QSAR Environ Res. 2023 Oct-Dec;34(12):983-1001. doi: 10.1080/1062936X.2023.2284902. Epub 2023 Dec 4. SAR QSAR Environ Res. 2023. PMID: 38047445
iPHACE: integrative navigation in pharmacological space.
Garcia-Serna R, Ursu O, Oprea TI, Mestres J. Garcia-Serna R, et al. Among authors: mestres j. Bioinformatics. 2010 Apr 1;26(7):985-6. doi: 10.1093/bioinformatics/btq061. Epub 2010 Feb 15. Bioinformatics. 2010. PMID: 20156991 Free PMC article.
Cross-pharmacology analysis of G protein-coupled receptors.
Briansó F, Carrascosa MC, Oprea TI, Mestres J. Briansó F, et al. Among authors: mestres j. Curr Top Med Chem. 2011;11(15):1956-63. doi: 10.2174/156802611796391285. Curr Top Med Chem. 2011. PMID: 21851335 Free PMC article.
Drug repurposing: far beyond new targets for old drugs.
Oprea TI, Mestres J. Oprea TI, et al. Among authors: mestres j. AAPS J. 2012 Dec;14(4):759-63. doi: 10.1208/s12248-012-9390-1. Epub 2012 Jul 24. AAPS J. 2012. PMID: 22826034 Free PMC article.
Chemoisosterism in the proteome.
Jalencas X, Mestres J. Jalencas X, et al. Among authors: mestres j. J Chem Inf Model. 2013 Feb 25;53(2):279-92. doi: 10.1021/ci3002974. Epub 2013 Jan 24. J Chem Inf Model. 2013. PMID: 23312010
A Workflow of Integrated Resources to Catalyze Network Pharmacology Driven COVID-19 Research.
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. Zahoránszky-Kőhalmi G, et al. Among authors: mestres j. bioRxiv [Preprint]. 2020 Nov 5:2020.11.04.369041. doi: 10.1101/2020.11.04.369041. bioRxiv. 2020. PMID: 33173863 Free PMC article. Updated. Preprint.
141 results