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 - GPCR Drug Discovery

Stepniewski TM, Torrens-Fontanals M, Rodríguez – Espigares I, Giorgino T, Primdahl KG, Vik A, Stenstrøm Y, Selent J, Hansen TV. Synthesis, molecular modelling studies and biological evaluation of new oxoeicosanoid receptor 1 agonists. Bioorgan Med Chem, 2018; 26, 12: 3580-3587. PMID: 29866479 . DOI: 10.1016/j.bmc.2018.05.036.

2018

Original articles in indexed journals - PharmacoInformatics

Radchenko T, Fontaine F, Morettoni L, Zamora I. WebMetabase: cleavage sites analysis tool for natural and unnatural substrates from diverse data source. Bioinformatics, 2018; bty667 . PMID: 30052776 . DOI: 10.1093/bioinformatics/bty667.

2018

Original articles in indexed journals - Computational Science

Skalic M, Varela-Rial A, Jiménez J, Martínez-Rosell G, De Fabritiis G. LigVoxel: Inpainting binding pockets using 3D-convolutional neural networks Bioinformatics, 2018; 35 (2): 243-250 15 . PMID: 29982392 . DOI: 10.1093/bioinformatics/bty667.

2018

Original articles in indexed journals - PharmacoInformatics

Radchenko T, Brink A, Siegrist Y, Kochansky C, Bateman A, Fontaine F, Morettoni L, Zamora I. Correction: Software-aided approach to investigate peptide structure and metabolic susceptibility of amide bonds in peptide drugs based on high resolution mass spectrometry. PLoS One, 2018; 13 (7): e0200772 . PMID: 29995925 . DOI: 10.1371/journal.pone.0200772.

2018

Original articles in indexed journals - Computational RNA Biology

Jayasinghe RG, Cao S, Gao Q, Wyczalkowski MA, Sengupta S, Walter MJ and the Splicing Analysis Working Group (including Eyras E). Comprehensive portrait of canonical and non-canonical splicing in cancer. Cancer Research, 2018; 78 (13 Supplement): 2362. DOI: 10.1158/1538-7445.AM2018-2362.

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

Book chapters - Integrative Biomedical Informatics - PharmacoInformatics

López-Massaguer O, Pastor M, Sanz F, Carbonell P. Hepatotoxicity Prediction by Systems Biology Modeling of Disturbed Metabolic Pathways Using Gene Expression Data. Methods Mol Biol, 2018; 1800: 505-518. PMID: 29934908 . DOI: 10.1007/978-1-4939-7899-1_23..

2018

Book chapters - GPCR Drug Discovery

Rodríguez-Espigares I, Kaczor AA, Stepniewski TM, Selent J. Challenges and Opportunities in Drug Discovery of Biased Ligands. Methods Mol Biol, 2018; 1705: 321-334. PMID: 29188569 . DOI: 10.1007/978-1-4939-7465-8_14..

2018

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

Cuadrado A, Manda G, Hassan A, Alcaraz MJ, Barbas C, Daiber A, Ghezzi P, León R, López MG, Oliva B, Pajares M, Rojo AI, Robledinos-Antón N, Valverde AM, Guney E, Schmidt HHHW. Transcription Factor NRF2 as a Therapeutic Target for Chronic Diseases: A Systems Medicine Approach. Pharmacol Rev, 2018; 70(2): 348-383. PMID: 29507103 . DOI: 10.1124/pr.117.014753.

2018