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Table representation of search results timeline featuring number of search results per year.

Year Number of Results
2004 3
2005 4
2006 4
2007 3
2008 4
2009 4
2010 2
2011 5
2012 3
2013 1
2014 8
2015 5
2016 4
2017 6
2018 4
2019 3
2020 2
2021 5
2022 5
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Search Results

67 results
Results by year
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Page 1
Fragment-to-lead tailored in silico design.
Rachman M, Piticchio S, Majewski M, Barril X. Rachman M, et al. Among authors: barril x. Drug Discov Today Technol. 2021 Dec;40:44-57. doi: 10.1016/j.ddtec.2021.08.005. Epub 2021 Sep 3. Drug Discov Today Technol. 2021. PMID: 34916022 Review.
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.
Molecular modelling.
Barril X, Soliva R. Barril X, et al. Mol Biosyst. 2006 Dec;2(12):660-81. doi: 10.1039/B613461K. Epub 2006 Oct 19. Mol Biosyst. 2006. PMID: 17216047 No abstract available.
Solvents to Fragments to Drugs: MD Applications in Drug Design.
Defelipe LA, Arcon JP, Modenutti CP, Marti MA, Turjanski AG, Barril X. Defelipe LA, et al. Among authors: barril x. Molecules. 2018 Dec 11;23(12):3269. doi: 10.3390/molecules23123269. Molecules. 2018. PMID: 30544890 Free PMC article. 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.
Binding kinetics in drug discovery.
Barril X, Danielsson H. Barril X, et al. Drug Discov Today Technol. 2015 Oct;17:35-6. doi: 10.1016/j.ddtec.2015.10.011. Epub 2015 Dec 10. Drug Discov Today Technol. 2015. PMID: 26724335 No abstract available.
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
67 results