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Challenges and Advances in Computational Chemistry and Physics(1)
Current Pharmaceutical Design(1)
Drug Discovery Today(1)
SAR and QSAR in Environmental Research(1)
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Farmacología y terapéutica(2)
Química física(2)
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Conformation-dependent QSAR approach for the pbkp_rediction of inhibitory activity of bromodomain modulators
ArticleAbstract: Epigenetic drug discovery is a promising research field with growing interest in the scientific commPalabras claves:3D molecular descriptors, Applicability domain, Bromodomains, epigenetic drug discovery, QSAR, QuBiLS-MIDAS, ToMoCoMD-CARDDAutores:César R. García-Jacas, Martinez-Mayorga K., Medina-Franco J.L., Yovani Marrero-PonceFuentes:scopusQuantitative structure-epigenetic activity relationships
Book PartAbstract: The relevance of epigenetic drug discovery has increased during the past few years as revealed by thPalabras claves:Activity cliffs, Activity landscape, Bromodomains, DNA methyltransferase, Epi-informatics, Epigenetics, HDAC, SEARSAutores:García-Sánchez M.O., Maykel Cruz-Monteagudo, Medina-Franco J.L.Fuentes:scopusProbing the hypothesis of SAR continuity restoration by the removal of activity cliffs generators in QSAR
ReviewAbstract: In this work we report the first attempt to study the effect of activity cliffs over the generalizatPalabras claves:Activity cliffs, Activity cliffs generators, chemoinformatics, Machine learning, QSAR, Virtual ScreeningAutores:Aminael Sánchez-Rodríguez, Borges F., Cesar Paz-y-Miño, Contreras-Posada Z., Eduardo Tejera, Maykel Cruz-Monteagudo, Medina-Franco J.L., Natalia Dias Soeiro Cordeiro M., Perera-Sardiña Y., Yunierkis Perez-CastilloFuentes:googlescopusSystemic QSAR and phenotypic virtual screening: chasing butterflies in drug discovery
ReviewAbstract: Current advances in systems biology suggest a new change of paradigm reinforcing the holistic naturePalabras claves:Autores:Aminael Sánchez-Rodríguez, Borges F., Eduardo Tejera, Maykel Cruz-Monteagudo, Medina-Franco J.L., Schürer S.C., Yunierkis Perez-CastilloFuentes:googlescopus