Mostrando 5 resultados de: 5
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Journal of Chemical Information and Modeling(1)
Journal of Computer-Aided Molecular Design(1)
Molecular Diversity(1)
Molecules(1)
Recent Advances in Medicinal Chemistry(1)
Bacterial FabH: Towards the Discovery of New Broad-Spectrum Antibiotics
Book PartAbstract: The emergence of drug resistant strains of important human pathogens has made urgent the necessity oPalabras claves:drug design, FabH, FabH inhibitors, FASAutores:Froeyen M., Nowé A., Pérez M.A.C., Yunierkis Perez-CastilloFuentes:googlescopusGA(M)E-QSAR: A novel, fully automatic genetic-algorithm-(meta)-ensembles approach for binary classification in ligand-based drug design
ArticleAbstract: Computer-aided drug design has become an important component of the drug discovery process. DespitePalabras claves:Autores:Froeyen M., Lazar C., Nowé A., Pérez M.A.C., Taminau J., Yunierkis Perez-CastilloFuentes:googlescopusMolecular dynamics and docking simulations as a proof of high flexibility in E. coli FabH and its relevance for accurate inhibitor modeling
ArticleAbstract: Bacterial β-ketoacyl-acyl carrier protein synthase III (FabH) has become an attractive target for thPalabras claves:FabH, Molecular docking, molecular dynamics, Multiple receptor conformations dockingAutores:Froeyen M., Nowé A., Pérez M.A.C., Yunierkis Perez-CastilloFuentes:googlescopusToward the computer-aided discovery of FabH inhibitors. Do pbkp_redictive QSAR models ensure high quality virtual screening performance?
ArticleAbstract: Antibiotic resistance has increased over the past two decades. New approaches for the discovery of nPalabras claves:Ensemble modeling, FabH inhibitors, Ligand-Based Drug Design, QSAR, Virtual ScreeningAutores:Froeyen M., Lazar C., Maykel Cruz-Monteagudo, Nowé A., Pérez M.A.C., Taminau J., Yunierkis Perez-CastilloFuentes:scopusQuinolinecarboxamides inhibit the replication of the bovine viral diarrhea virus by targeting a hot spot for the inhibition of pestivirus replication in the RNA-dependent RNA polymerase
ArticleAbstract: The bovine viral diarrhea virus (BVDV), a pestivirus from the family of Flaviviridae is ubiquitous aPalabras claves:Bovine viral diarrhea virus, RNA-dependent RNA polymerase, Substituted quinolinecarboxamide inhibitorsAutores:Froeyen M., Leyssen P., Muigg A., Musiu S., Neyts J., Paeshuyse J., Pürstinger G., Yunierkis Perez-CastilloFuentes:googlescopus