Original articles in indexed journals - Integrative Biomedical Informatics

Speck-Planche A. Combining Ensemble Learning with a Fragment-Based Topological Approach To Generate New Molecular Diversity in Drug Discovery: In Silico Design of Hsp90 Inhibitors. ACS Omega, 2018; 3(11): 14704- 14716. PMID: 30555986 . DOI: 10.1021/acsomega.8b02419.

2018

Original articles in indexed journals - Integrative Biomedical Informatics

Souza T, Trairatphisan P, Piñero J, Furlong LI, Saez-Rodriguez J, Kleinjans J, Jennen D. Embracing the Dark Side: Computational Approaches to Unveil the Functionality of Genes Lacking Biological Annotation in Drug-Induced Liver Injury. Front Genet, 2018; 9:527 . PMID: 30515189 . DOI: 10.3389/ fgene. 2018.00527.

2018

Original articles in indexed journals - Integrative Biomedical Informatics

Speck-Planche A, Scotti MT. BET bromodomain inhibitors: fragment-based in silico design using multi-target QSAR models. Mol Divers, 2018; 23(3): 555-572. PMID: 30421269 . DOI: 10.1007/s11030-018-9890-8.

2018

Original articles in indexed journals - Integrative Biomedical Informatics - PharmacoInformatics

Pastor M, Quintana J, Sanz F. Development of an Infrastructure for the Prediction of Biological Endpoints in Industrial Environments. Lessons Learned at the eTOX Project. Front Pharmacol, 2018; 9: 1147. PMID: 30364191 . DOI: 10.3389/fphar.2018.01147.

2018

Original articles in indexed journals - Integrative Biomedical Informatics

Piñero J, Furlong LI, Sanz F. In silico models in drug development: where we are. Curr Opin Pharmacol, 2018; 42: 111-121.. PMID: 30205360 . DOI: 10.1016/j.coph.2018.08.007.

2018

Original articles in indexed journals - Integrative Biomedical Informatics - Structural Bioinformatics

Piñero J, Gonzalez-Perez A, Guney E, Aguirre-Plans J, Sanz F, Oliva B, Furlong LI. Network, Transcriptomic and Genomic Features Differentiate Genes Relevant for Drug Response. Front Genet, 2018; 9: 412. PMID: 30319692 . DOI: 10.3389/fgene.2018.00412.

2018

Original articles in indexed journals - Integrative Biomedical Informatics

Gomez-Rubio P, Piñero J, Molina-Montes E, Gutiérrez-Sacristán A, Marquez M, Rava M, Michalski CW, Farré A, Molero X, Löhr M, Perea J, Greenhalf W, O'Rorke M, Tardón A, Gress T, Barberà VM, Crnogorac-Jurcevic T, Muñoz-Bellvís L, Domínguez-Muñoz E, Balsells J, Costello E, Yu J, Iglesias M, Ilzarbe L, Kleeff J, Kong B, Mora J, Murray L, O'Driscoll D, Poves I, Lawlor RT, Ye W, Hidalgo M, Scarpa A, Sharp L, Carrato A, Real FX, Furlong LI, Malats N. PanGenEU Study Investigators.. Pancreatic cancer and autoimmune diseases: An association sustained by computational and epidemiological case-control approaches. Int J Cancer, 2018; 144(7): 1540-1549. PMID: 30229903 . DOI: 10.1002/ijc.31866.

2018

Original articles in indexed journals - Integrative Biomedical Informatics - Structural Bioinformatics

Salgado-Mendialdúa V, Aguirre-Plans J, Guney E, Reig-Viader R, Maldonado R, Bayés À, Oliva B, Ozaita A. Delta9-tetrahydrocannabinol modulates the proteasome system in the brain. Biochem Pharmacol, 2018;  pii: S0006-2952 (18) 30352-6. PMID: 30134192 . DOI: 10.1016/j.bcp.2018.08.026.

2018

Original articles in indexed journals - Integrative Biomedical Informatics

Speck-Planche A. Recent advances in fragment-based computational drug design: tackling simultaneous targets/biological effects. Future Med Chem, 2018; 10(17): 2021-2024. PMID: 30058835 . DOI: 10.4155/fmc-2018-0213.

2018

Original articles in indexed journals - Integrative Biomedical Informatics - Structural Bioinformatics

Aguirre-Plans J, Piñero J, Menche J, Sanz F, Furlong LI, Schmidt HHHW, Oliva B, Guney E. Proximal Pathway Enrichment Analysis for Targeting Comorbid Diseases via Network Endopharmacology. Pharmaceuticals, 2018; 11(3): E61.. PMID: 29932108 . DOI: 10.3390/ph11030061.

2018