Synthon-Based Strategies Exploiting Molecular Similarity and Protein-Ligand Interactions for Efficient Screening of Ultra-Large Chemical Libraries.

Javier Vázquez

Brian Medel-Lacruz Albert Herrero Fernando Martín Enric Herrero F. Javier Luque Javier Vázquez Synthon-Based Strategies Exploiting Molecular Similarity and Protein-Ligand Interactions for Efficient Screening of Ultra-Large Chemical Libraries. 7569-7583 2025 65 J. Chem. Inf. Model. 14 https://doi.org/10.1021/acs.jcim.5c00222 db/journals/jcisd/jcisd65.html#MedelLacruzHMHLV25 streams/journals/jcisd

Javier Vázquez Ricardo García Paula Llinares F. Javier Luque Enric Herrero On the relevance of query definition in the performance of 3D ligand-based virtual screening. 18 2024 December 38 J. Comput. Aided Mol. Des. 1 https://doi.org/10.1007/s10822-024-00561-5 https://www.wikidata.org/entity/Q126276684 db/journals/jcamd/jcamd38.html#VazquezGLLH24

Javier Vázquez Tiziana Ginex Albert Herrero Christophe Morisseau Bruce D. Hammock F. Javier Luque Screening and Biological Evaluation of Soluble Epoxide Hydrolase Inhibitors: Assessing the Role of Hydrophobicity in the Pharmacophore-Guided Search of Novel Hits. 3209-3225 2023 May 63 J. Chem. Inf. Model. 10 https://doi.org/10.1021/acs.jcim.3c00301 db/journals/jcisd/jcisd63.html#VazquezGHMHL23

Javier Vázquez Alessandro Deplano Albert Herrero Enric Gibert Enric Herrero F. Javier Luque Assessing the Performance of Mixed Strategies To Combine Lipophilic Molecular Similarity and Docking in Virtual Screening. 4231-4245 2020 60 J. Chem. Inf. Model. 9 https://doi.org/10.1021/acs.jcim.9b01191 https://www.wikidata.org/entity/Q94510285 db/journals/jcisd/jcisd60.html#VazquezDHGHL20

Javier Vázquez Alessandro Deplano Albert Herrero Tiziana Ginex Enric Gibert Obdulia Rabal Julen Oyarzabal Enric Herrero F. Javier Luque Development and Validation of Molecular Overlays Derived from Three-Dimensional Hydrophobic Similarity with PharmScreen. 1596-1609 2018 58 J. Chem. Inf. Model. 8 https://doi.org/10.1021/acs.jcim.8b00216 https://www.wikidata.org/entity/Q61780681 db/journals/jcisd/jcisd58.html#VazquezDHGGROHL18

Alessandro Deplano Ricardo García Enric Gibert Tiziana Ginex Bruce D. Hammock Albert Herrero Enric Herrero Paula Llinares F. Javier Luque Fernando Martín Brian Medel-Lacruz Christophe Morisseau Julen Oyarzabal Obdulia Rabal