Original articles in indexed journals - Computational Science

De Mol E, Szulc E, Di Sanza C, Martínez-Cristóbal P, Bertoncini CW, Fenwick RB, Frigolé-Vivas M, Masín M, Hunter I, Buzón V, Brun-Heath I, García J, De Fabritiis G, Estébanez-Perpiñá E, McEwan IJ, Nebreda ÁR, Salvatella X. Regulation of Androgen Receptor Activity by Transient Interactions of Its Transactivation Domain with General Transcription Regulators. Structure, 2018; 26(1): 145-152. e3. PMID: 29225078 . DOI: 10.1016/j.str.2017.11.007.

2018

Original articles in indexed journals - PharmacoInformatics

Nolte TM, Pinto-Gil K, Hendriks AJ, Ragas AMJ, Pastor M. Quantitative structure-activity relationships for primary aerobic biodegradation of organic chemicals in pristine surface waters: starting points for predicting biodegradation under acclimatization. Environ Sci Process Impacts, 2018; 24; 20(1): 157-170. PMID: 29192704 . DOI: 10.1039/c7em00375g.

2018

Original articles in indexed journals - Computational Science

Ferruz N, Doerr S, Vanase-Frawley MA, Zou Y, Chen X, Marr ES, Nelson RT, Kormos BL, Wager TT, Hou X, Villalobos A, Sciabola S, De Fabritiis G. Dopamine D3 receptor antagonist reveals a cryptic pocket in aminergic GPCRs. Sci Rep, 2018; 8(1): 897. PMID: 29343833 . DOI: 10.1038/s41598-018-19345-7.

2018

Original articles in indexed journals - Evolutionary Genomics

Faherty SL, Villanueva-Cañas JL, Blanco MB, Albà MM, Yoder AD. Transcriptomics in the wild: hibernation physiology in free-ranging dwarf lemurs. Mol Ecol, 2018; 27(3): 709-722. PMID: 29319912 . DOI: 10.1111/mec.14483.

2018

Original articles in indexed journals - Computational Science

Jiménez Luna J, Skalic M, Martinez-Rosell G, De Fabritiis G. K-DEEP: Protein-ligand absolute binding affinity prediction via 3D-convolutional neural networks. J Chem Inf Model, 2018; 58 (2): 287-296. PMID: 29309725 . DOI: 10.1021/acs.jcim.7b00650.

2018

Original articles in indexed journals - PharmacoInformatics

Delp J, Gutbier S, Klima S, Hoelting L, Pinto-Gil K, Hsieh JH, Aichem M, Klein K, Schreiber F, Tice RR, Pastor M, Behl M, Leist M. A high-throughput approach to identify specific neurotoxicants/ developmental toxicants in human neuronal cell function assays. ALTEX, 2018; 35(2): 235-253. PMID: 29423527 . DOI: 10.14573/altex.1712182.

2018

Original articles in indexed journals - Computational RNA Biology

Closa A, Bowden M, Orsola A, Lloreta J, Juanpere N, Zhou CW, Bellmunt J, Eyras E. Differential expression of SRSF2 contribute to the splicing changes related to micropapillary variant histology in nonmuscle-invasive bladder cancer (NMIBC). Journal of Clinical Oncology, 2018 ;36 (15_suppl), e16520-e16520 DOI: 10.1200/JCO.2018.36.15_suppl.e16520.

2018

PhD Thesis - PharmacoInformatics

López Massaguer, O. Development of informatic tools for extracting biomedical data from open and proprietary data sources with predictive purposes. Universitat Pompeu Fabra. December, 14th 2017. Thesis Director: Pastor M.

2017

PhD Thesis - Integrative Biomedical Informatics

Gutiérrez-Sacristán, A. A bioinformatics approach to the study of comorbidity. Insight into mental disorders. Universitat Pompeu Fabra. December, 15th 2017. Thesis Director: Furlong LI.

2017

PhD Thesis - Computational Science

Martínez G. Applications of molecular dynamics in drug discovery and technology transfer via a web-based platform. Universitat Pompeu Fabra. December, 20th 2017. Thesis Director: de Fabritiis G.

2017