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Nitrogen positional scanning in tetramines active against HIV-1 as potential CXCR4 inhibitors.
Org Biomol Chem. 2016 Jan 28;14(4):1455-1472. doi: 10.1039/c5ob02419f. Epub 2015 Dec 21.
Org Biomol Chem. 2016.
PMID: 26691389
Impact of the CXCR4 structure on docking-based virtual screening of HIV entry inhibitors.
Planesas JM, Pérez-Nueno VI, Borrell JI, Teixidó J.
Planesas JM, et al.
J Mol Graph Model. 2012 Sep;38:123-36. doi: 10.1016/j.jmgm.2012.06.010. Epub 2012 Jul 3.
J Mol Graph Model. 2012.
PMID: 23079643
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Studying the binding interactions of allosteric agonists and antagonists of the CXCR4 receptor.
Planesas JM, Pérez-Nueno VI, Borrell JI, Teixidó J.
Planesas JM, et al.
J Mol Graph Model. 2015 Jul;60:1-14. doi: 10.1016/j.jmgm.2015.05.004. Epub 2015 May 30.
J Mol Graph Model. 2015.
PMID: 26080355
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Improving VEGFR-2 docking-based screening by pharmacophore postfiltering and similarity search postprocessing.
Planesas JM, Claramunt RM, Teixidó J, Borrell JI, Pérez-Nueno VI.
Planesas JM, et al.
J Chem Inf Model. 2011 Apr 25;51(4):777-87. doi: 10.1021/ci1002763. Epub 2011 Mar 18.
J Chem Inf Model. 2011.
PMID: 21417262
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Highly specific and sensitive pharmacophore model for identifying CXCR4 antagonists. Comparison with docking and shape-matching virtual screening performance.
Karaboga AS, Planesas JM, Petronin F, Teixidó J, Souchet M, Pérez-Nueno VI.
Karaboga AS, et al. Among authors: planesas jm.
J Chem Inf Model. 2013 May 24;53(5):1043-56. doi: 10.1021/ci400037y. Epub 2013 Apr 25.
J Chem Inf Model. 2013.
PMID: 23577723
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