Obdulia Rabal

发表

An integrated one-step system to extract, analyze and annotate all relevant information from image-based cell screening of chemical libraries.

Obdulia Rabal, Wolfgang Link, Beatriz G Serelde, 2010, Molecular bioSystems.

Comparison of Ligand-Based and Receptor-Based Virtual Screening of HIV Entry Inhibitors for the CXCR4 and CCR5 Receptors Using 3D Ligand Shape Matching and Ligand-Receptor Docking

David W. Ritchie, Rosalia Pascual, Obdulia Rabal, 2008, J. Chem. Inf. Model..

PharmaCoNER: Pharmacological Substances, Compounds and proteins Named Entity Recognition track

Montserrat Marimon, Aitor Gonzalez-Agirre, Martin Krallinger, 2019, EMNLP.

Novel pharmacological maps of protein lysine methyltransferases: key for target deorphanization

Obdulia Rabal, Julen Oyarzabal, Andrea Castellar, 2018, Journal of Cheminformatics.

Towards the understanding of the activity of G9a inhibitors: an activity landscape and molecular modeling approach

José L. Medina-Franco, Obdulia Rabal, Julen Oyarzabal, 2020, Journal of Computer-Aided Molecular Design.

Using Novel Descriptor Accounting for Ligand-Receptor Interactions To Define and Visually Explore Biologically Relevant Chemical Space

Obdulia Rabal, Julen Oyarzabal, O. Rabal, 2012, J. Chem. Inf. Model..

LimTox: a web tool for applied text mining of adverse event and toxicity associations of compounds, drugs and genes

Martin Krallinger, Salvador Capella-Gutiérrez, Obdulia Rabal, 2017, Nucleic Acids Res..

Novel Scaffold Fingerprint (SFP): Applications in Scaffold Hopping and Scaffold-Based Selection of Diverse Compounds

Obdulia Rabal, Julen Oyarzabal, Fares Ibrahim Amr, 2015, J. Chem. Inf. Model..

CHEMDNER: The drugs and chemical names extraction challenge

Alfonso Valencia, Martin Krallinger, Florian Leitner, 2015, Journal of Cheminformatics.

Cell-Integral-Diversity Criterion: A Proposal for Minimizing Cluster Artifact in Cell-Based Selections

Rosalia Pascual, Obdulia Rabal, José I. Borrell, 2007, J. Chem. Inf. Model..

The CHEMDNER corpus of chemicals and drugs and its annotation principles

Zhiyong Lu, Karin M. Verspoor, Hongfang Liu, 2015, Journal of Cheminformatics.

Centralizing discovery information: from logistics to knowledge at a public organization.

Manuel Urbano-Cuadrado, Obdulia Rabal, Julen Oyarzabal, 2011, Combinatorial chemistry & high throughput screening.

Evaluation of chemical and gene/protein entity recognition systems at BioCreative V.5: the CEMP and GPRO patents tracks

Alfonso Valencia, Martín Pérez-Pérez, Anália Lourenço, 2017 .

Development and Validation of Molecular Overlays Derived from Three-Dimensional Hydrophobic Similarity with PharmScreen

F. J. Luque, Enric Herrero, Enric Gibert, 2018, J. Chem. Inf. Model..

Overview of the BioCreative VI chemical-protein interaction Track

Anália Lourenço, Martin Krallinger, Obdulia Rabal, 2017 .

APIF: A New Interaction Fingerprint Based on Atom Pairs and Its Application to Virtual Screening

Obdulia Rabal, Violeta I. Pérez-Nueno, José I. Borrell, 2009, J. Chem. Inf. Model..

The Markyt visualisation, prediction and benchmark platform for chemical and gene entity recognition at BioCreative/CHEMDNER challenge

Alfonso Valencia, Martín Pérez-Pérez, Anália Lourenço, 2016, Database J. Biol. Databases Curation.

Biologically Relevant Chemical Space Navigator: From Patent and Structure-Activity Relationship Analysis to Library Acquisition and Design

Obdulia Rabal, Julen Oyarzabal, O. Rabal, 2012, J. Chem. Inf. Model..

DrugProt corpus relation annotation guidelines [ChemProt - Biocreative VI]

Martin Krallinger, Obdulia Rabal, Jose Antonio López, 2021 .

Fine tuning for success in structure-based virtual screening

Martin Kotev, Emilie Pihan, Obdulia Rabal, 2021, Journal of Computer-Aided Molecular Design.

DrugProt corpus chemicals and drugs annotation guidelines [CHEMDNER - Biocreative IV]

Martin Krallinger, Obdulia Rabal, Martin Krallinger, 2021 .

DrugProt corpus: Biocreative VII Track 1 - Text mining drug and chemical-protein interactions

Alfonso Valencia, Obdulia Rabal, Antonio Miranda-Escalada, 2021 .

Structure-based virtual screening of FGFR inhibitors: cross-decoys and induced-fit effect.

Gisbert Schneider, Obdulia Rabal, Jordi Teixidó, 2007, BioDrugs : clinical immunotherapeutics, biopharmaceuticals and gene therapy.

Computational medicinal chemistry in fragment-based drug discovery: what, how and when.

Manuel Urbano-Cuadrado, Obdulia Rabal, Julen Oyarzabal, 2011, Future medicinal chemistry.

Fragment-Hopping-Based Discovery of a Novel Chemical Series of Proto-Oncogene PIM-1 Kinase Inhibitors

Obdulia Rabal, Julen Oyarzabal, Joaquin Pastor, 2012, PloS one.

Conformational selection versus induced fit in kinases: the case of PI3K-γ.

Francesco Luigi Gervasio, Obdulia Rabal, Julen Oyarzabal, 2012, Angewandte Chemie.

In Silico Aptamer Docking Studies: From a Retrospective Validation to a Prospective Case Study'TIM3 Aptamers Binding.

Obdulia Rabal, Julen Oyarzabal, O. Rabal, 2016, Molecular therapy. Nucleic acids.

Structure-Based Virtual Screening of FGFR Inhibitors

Gisbert Schneider, Obdulia Rabal, Jordi Teixidó, 2012, BioDrugs.

3-Kinases Selective Inhibitors of Phosphoinositide andNuclear Translocation Identifies Potent Chemical Interrogation of FOXO 3 a Mechanisms of Signal Transduction :

Obdulia Rabal, Julen Oyarzabal, Amancio Carnero, 2009 .