Skip to main page content
U.S. flag

An official website of the United States government

Dot gov

The .gov means it’s official.
Federal government websites often end in .gov or .mil. Before sharing sensitive information, make sure you’re on a federal government site.

Https

The site is secure.
The https:// ensures that you are connecting to the official website and that any information you provide is encrypted and transmitted securely.

Access keys NCBI Homepage MyNCBI Homepage Main Content Main Navigation

Search Page

Filters

My NCBI Filters

Text availability

Article attribute

Article type

Publication date

Search Results

86 results

Filters applied: . Clear all
Results are displayed in a computed author sort order. The Results By Year timeline is not available.
Page 1
Combined Use of Oligopeptides, Fragment Libraries, and Natural Compounds: A Comprehensive Approach To Sample the Druggability of Vascular Endothelial Growth Factor.
Bayó-Puxan N, Rodríguez-Mias R, Goldflam M, Kotev M, Ciudad S, Hipolito CJ, Varese M, Suga H, Campos-Olivas R, Barril X, Guallar V, Teixidó M, García J, Giralt E. Bayó-Puxan N, et al. Among authors: barril x. ChemMedChem. 2016 Apr 19;11(8):928-39. doi: 10.1002/cmdc.201500467. Epub 2015 Nov 10. ChemMedChem. 2016. PMID: 26553526 Free PMC article.
Dynamic undocking and the quasi-bound state as tools for drug discovery.
Ruiz-Carmona S, Schmidtke P, Luque FJ, Baker L, Matassova N, Davis B, Roughley S, Murray J, Hubbard R, Barril X. Ruiz-Carmona S, et al. Among authors: barril x. Nat Chem. 2017 Mar;9(3):201-206. doi: 10.1038/nchem.2660. Epub 2016 Nov 14. Nat Chem. 2017. PMID: 28221352
Predicting how drug molecules bind to their protein targets.
Rachman MM, Barril X, Hubbard RE. Rachman MM, et al. Among authors: barril x. Curr Opin Pharmacol. 2018 Oct;42:34-39. doi: 10.1016/j.coph.2018.07.001. Epub 2018 Jul 21. Curr Opin Pharmacol. 2018. PMID: 30041063 Review.
Discovery of an Allosteric Ligand Binding Site in SMYD3 Lysine Methyltransferase.
Talibov VO, Fabini E, FitzGerald EA, Tedesco D, Cederfeldt D, Talu MJ, Rachman MM, Mihalic F, Manoni E, Naldi M, Sanese P, Forte G, Lepore Signorile M, Barril X, Simone C, Bartolini M, Dobritzsch D, Del Rio A, Danielson UH. Talibov VO, et al. Among authors: barril x. Chembiochem. 2021 May 4;22(9):1597-1608. doi: 10.1002/cbic.202000736. Epub 2021 Feb 11. Chembiochem. 2021. PMID: 33400854 Free PMC article.
Discovery of a novel kinase hinge binder fragment by dynamic undocking.
Rachman M, Bajusz D, Hetényi A, Scarpino A, Merő B, Egyed A, Buday L, Barril X, Keserű GM. Rachman M, et al. Among authors: barril x. RSC Med Chem. 2020 Mar 4;11(5):552-558. doi: 10.1039/c9md00519f. eCollection 2020 May 1. RSC Med Chem. 2020. PMID: 33479656 Free PMC article.
Discovery of Novel BRD4 Ligand Scaffolds by Automated Navigation of the Fragment Chemical Space.
Piticchio SG, Martínez-Cartró M, Scaffidi S, Rachman M, Rodriguez-Arevalo S, Sanchez-Arfelis A, Escolano C, Picaud S, Krojer T, Filippakopoulos P, von Delft F, Galdeano C, Barril X. Piticchio SG, et al. Among authors: barril x. J Med Chem. 2021 Dec 23;64(24):17887-17900. doi: 10.1021/acs.jmedchem.1c01108. Epub 2021 Dec 13. J Med Chem. 2021. PMID: 34898210
86 results