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eric gilbert
(33 results)?
Merging Ligand-Based and Structure-Based Methods in Drug Discovery: An Overview of Combined Virtual Screening Approaches.
Molecules. 2020 Oct 15;25(20):4723. doi: 10.3390/molecules25204723.
Molecules. 2020.
PMID: 33076254
Free PMC article.
Review.
Assessing the Performance of Mixed Strategies To Combine Lipophilic Molecular Similarity and Docking in Virtual Screening.
Vazquez J, Deplano A, Herrero A, Gibert E, Herrero E, Luque FJ.
Vazquez J, et al. Among authors: gibert e.
J Chem Inf Model. 2020 Sep 28;60(9):4231-4245. doi: 10.1021/acs.jcim.9b01191. Epub 2020 May 14.
J Chem Inf Model. 2020.
PMID: 32364713
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Development and Validation of Molecular Overlays Derived from Three-Dimensional Hydrophobic Similarity with PharmScreen.
Vázquez J, Deplano A, Herrero A, Ginex T, Gibert E, Rabal O, Oyarzabal J, Herrero E, Luque FJ.
Vázquez J, et al. Among authors: gibert e.
J Chem Inf Model. 2018 Aug 27;58(8):1596-1609. doi: 10.1021/acs.jcim.8b00216. Epub 2018 Jul 30.
J Chem Inf Model. 2018.
PMID: 30010337
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Application of the quantum mechanical IEF/PCM-MST hydrophobic descriptors to selectivity in ligand binding.
Ginex T, Muñoz-Muriedas J, Herrero E, Gibert E, Cozzini P, Luque FJ.
Ginex T, et al. Among authors: gibert e.
J Mol Model. 2016 Jun;22(6):136. doi: 10.1007/s00894-016-2991-3. Epub 2016 May 17.
J Mol Model. 2016.
PMID: 27188723
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Development and validation of hydrophobic molecular fields derived from the quantum mechanical IEF/PCM-MST solvation models in 3D-QSAR.
Ginex T, Muñoz-Muriedas J, Herrero E, Gibert E, Cozzini P, Luque FJ.
Ginex T, et al. Among authors: gibert e.
J Comput Chem. 2016 May 15;37(13):1147-62. doi: 10.1002/jcc.24305. Epub 2016 Jan 26.
J Comput Chem. 2016.
PMID: 26813046
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