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Design, quality and validation of the EU-OPENSCREEN fragment library poised to a high-throughput screening collection.
RSC Med Chem. 2024 Feb 12;15(4):1176-1188. doi: 10.1039/d3md00724c. eCollection 2024 Apr 24.
RSC Med Chem. 2024.
PMID: 38665834
Free PMC article.
Fragment-based virtual screening identifies a first-in-class preclinical drug candidate for Huntington's disease.
Galyan SM, Ewald CY, Jalencas X, Masrani S, Meral S, Mestres J.
Galyan SM, et al. Among authors: jalencas x.
Sci Rep. 2022 Nov 16;12(1):19642. doi: 10.1038/s41598-022-21900-2.
Sci Rep. 2022.
PMID: 36385140
Free PMC article.
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The human endogenous metabolome as a pharmacology baseline for drug discovery.
Bofill A, Jalencas X, Oprea TI, Mestres J.
Bofill A, et al. Among authors: jalencas x.
Drug Discov Today. 2019 Sep;24(9):1806-1820. doi: 10.1016/j.drudis.2019.06.007. Epub 2019 Jun 19.
Drug Discov Today. 2019.
PMID: 31226432
Free PMC article.
Review.
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Identification of Similar Binding Sites to Detect Distant Polypharmacology.
Jalencas X, Mestres J.
Jalencas X, et al.
Mol Inform. 2013 Dec;32(11-12):976-90. doi: 10.1002/minf.201300082. Epub 2013 Oct 18.
Mol Inform. 2013.
PMID: 27481143
Review.
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Chemoisosterism in the proteome.
Jalencas X, Mestres J.
Jalencas X, et al.
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
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Identification of pim kinases as novel targets for PJ34 with confounding effects in PARP biology.
Antolín AA, Jalencas X, Yélamos J, Mestres J.
Antolín AA, et al. Among authors: jalencas x.
ACS Chem Biol. 2012 Dec 21;7(12):1962-7. doi: 10.1021/cb300317y. Epub 2012 Oct 8.
ACS Chem Biol. 2012.
PMID: 23025350
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