Rabal O - Search Results

1

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

Vázquez J, Deplano A, Herrero A, Ginex T, Gibert E, Rabal O, Oyarzabal J, Herrero E, Luque FJ. Vázquez J, et al. Among authors: rabal o. J Chem Inf Model. 2018 Aug 27;58(8):1596-1609. doi: 10.1021/acs.jcim.8b00216. Epub 2018 Jul 30. J Chem Inf Model. 2018. PMID: 30010337

2

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

Rabal O, Link W, Serelde BG, Bischoff JR, Oyarzabal J. Rabal O, et al. Mol Biosyst. 2010 Apr;6(4):711-20. doi: 10.1039/b919830j. Epub 2010 Jan 21. Mol Biosyst. 2010. PMID: 20237649

3

Discovery of mitogen-activated protein kinase-interacting kinase 1 inhibitors by a comprehensive fragment-oriented virtual screening approach.

Oyarzabal J, Zarich N, Albarran MI, Palacios I, Urbano-Cuadrado M, Mateos G, Reymundo I, Rabal O, Salgado A, Corrionero A, Fominaya J, Pastor J, Bischoff JR. Oyarzabal J, et al. Among authors: rabal o. J Med Chem. 2010 Sep 23;53(18):6618-28. doi: 10.1021/jm1005513. J Med Chem. 2010. PMID: 20722422

4

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

Urbano-Cuadrado M, Rabal O, Oyarzabal J. Urbano-Cuadrado M, et al. Among authors: rabal o. Comb Chem High Throughput Screen. 2011 Jul;14(6):429-49. doi: 10.2174/138620711795767848. Comb Chem High Throughput Screen. 2011. PMID: 21143181

5

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

Rabal O, Urbano-Cuadrado M, Oyarzabal J. Rabal O, et al. Future Med Chem. 2011 Jan;3(1):95-134. doi: 10.4155/fmc.10.277. Future Med Chem. 2011. PMID: 21428828 Review.

6

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

D'Abramo M, Rabal O, Oyarzabal J, Gervasio FL. D'Abramo M, et al. Among authors: rabal o. Angew Chem Int Ed Engl. 2012 Jan 16;51(3):642-6. doi: 10.1002/anie.201103264. Epub 2011 Dec 1. Angew Chem Int Ed Engl. 2012. PMID: 22135005 No abstract available.

7

Using novel descriptor accounting for ligand-receptor interactions to define and visually explore biologically relevant chemical space.

Rabal O, Oyarzabal J. Rabal O, et al. J Chem Inf Model. 2012 May 25;52(5):1086-102. doi: 10.1021/ci200627v. Epub 2012 Apr 19. J Chem Inf Model. 2012. PMID: 22486368

8

Fragment-hopping-based discovery of a novel chemical series of proto-oncogene PIM-1 kinase inhibitors.

Saluste G, Albarran MI, Alvarez RM, Rabal O, Ortega MA, Blanco C, Kurz G, Salgado A, Pevarello P, Bischoff JR, Pastor J, Oyarzabal J. Saluste G, et al. Among authors: rabal o. PLoS One. 2012;7(10):e45964. doi: 10.1371/journal.pone.0045964. Epub 2012 Oct 24. PLoS One. 2012. PMID: 23115625 Free PMC article.

9

Biologically relevant chemical space navigator: from patent and structure-activity relationship analysis to library acquisition and design.

Rabal O, Oyarzabal J. Rabal O, et al. J Chem Inf Model. 2012 Dec 21;52(12):3123-37. doi: 10.1021/ci3004539. Epub 2012 Dec 5. J Chem Inf Model. 2012. PMID: 23176522

10

Novel Scaffold FingerPrint (SFP): applications in scaffold hopping and scaffold-based selection of diverse compounds.

Rabal O, Amr FI, Oyarzabal J. Rabal O, et al. J Chem Inf Model. 2015 Jan 26;55(1):1-18. doi: 10.1021/ci500542e. Epub 2015 Jan 13. J Chem Inf Model. 2015. PMID: 25558803

Save citations to file

Email citations

Send citations to clipboard

Add to Collections

Add to My Bibliography

Create a file for external citation management software

Your saved search

Your RSS Feed

My Custom Filters

Publication date

Text availability

Article attribute

Article type

Article Language

Species

Sex

Age

Other

62 results

Search Page

Filters