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Methods in Molecular Biology (Clifton, N.J.)|November 3, 2021
Artificial Intelligence, Machine Learning, and Deep Learning in Real-Life Drug Design CasesChristophe Muller, Obdulia Rabal, Constantino Diaz GonzalezJournal of Computer-Aided Molecular Design|November 20, 2021
Fine tuning for success in structure-based virtual screeningEmilie Pihan, Martin Kotev, Obdulia Rabal, et al.Journal of Chemical Information and Modeling|April 11, 2012
Using novel descriptor accounting for ligand-receptor interactions to define and visually explore biologically relevant chemical spaceObdulia Rabal, Julen OyarzabalJournal of Chemical Information and Modeling|November 27, 2012
Biologically relevant chemical space navigator: from patent and structure-activity relationship analysis to library acquisition and designObdulia Rabal, Julen OyarzabalJournal of Cheminformatics|July 23, 2018
Novel pharmacological maps of protein lysine methyltransferases: key for target deorphanizationObdulia Rabal, Andrea Castellar, Julen OyarzabalCombinatorial Chemistry & High Throughput Screening|December 15, 2010
Centralizing discovery information: from logistics to knowledge at a public organizationManuel Urbano-Cuadrado, Obdulia Rabal, Julen OyarzabalJournal of Chemical Information and Modeling|January 7, 2015
Novel Scaffold FingerPrint (SFP): applications in scaffold hopping and scaffold-based selection of diverse compoundsObdulia Rabal, Fares Ibrahim Amr, Julen OyarzabalFuture Medicinal Chemistry|March 25, 2011
Computational medicinal chemistry in fragment-based drug discovery: what, how and whenObdulia Rabal, Manuel Urbano-Cuadrado, Julen OyarzabalMethods in Molecular Biology (Clifton, N.J.)|September 13, 2023
Molecular Dynamics and Other HPC Simulations for Drug DiscoveryMartin Kotev, Constantino Diaz GonzalezBiodrugs : Clinical Immunotherapeutics, Biopharmaceuticals and Gene Therapy|February 1, 2007
Structure-based virtual screening of FGFR inhibitors: cross-decoys and induced-fit effectObdulia Rabal, Gisbert Schneider, Jose I Borrell, et al.Pageof 9