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

Original articles in indexed journals - Integrative Biomedical Informatics

Gutiérrez-Sacristán A, Guedj R, Korodi G, Stedman J, Furlong LI, Patel CJ, Kohane IS, Avillach P. Rcupcake: an R package for querying and analyzing biomedical data through the BD2K PIC-SURE RESTful API. Bioinformatics, 2017 . PMID: 29267850 . DOI: 10.1093/bioinformatics/btx788.

2017

Original articles in indexed journals - Computational RNA Biology

Cifdaloz M, Osterloh L, Graña O, Riveiro-Falkenbach E, Ximénez-Embún P, Muñoz J, Tejedo C, Calvo TG, Karras P, Olmeda D, Miñana B, Gómez-López G, Cañon E, Eyras E, Guo H, Kappes F, Ortiz-Romero PL, Rodríguez-Peralto JL, Megías D, Valcárcel J, Soengas MS. Systems analysis identifies melanoma-enriched pro-oncogenic networks controlled by the RNA binding protein CELF1. Nat Commun, 2017; 8(1): 2249.. PMID: 29269732 . DOI: 10.1038/s41467-017-02353-y.

2017

Original articles in indexed journals - Integrative Biomedical Informatics - Systems Pharmacology - PharmacoInformatics

Sanz F, Pognan F, Steger-Hartmann T, Díaz C, Cases M, Pastor M, Marc P, Wichard J, Briggs K, Watson D, Kleinöder T, Yang C, Amberg A, Beaumont M, Brookes A, Brunak S, Cronin MTD, Ecker GF, Escher S, Greene N, Guzmán A, Hersey A, Jacques P, Lammens L, Mestres J, Muster W, Northeved H, Pinches M, Saiz J, Sajot N, Valencia A, van der Lei J, Vermeulen NPE, Vock E, Wolber G, Zamora I. Legacy data sharing to improve drug safety assessment: the eTOX project. Nature Reviews Drug Discovery, 2017; 16(12): 811-812. PMID: 29026211 . DOI: 10.1038/nrd.2017.177.

2017

Original articles in indexed journals - Systems Pharmacology

Sultana J, Calabró M, Garcia-Serna R, Ferrajolo C, Crisafulli C, Mestres J, Trifirò' G. Biological substantiation of antipsychotic-associated pneumonia: Systematic literature review and computational analyses. PLoS ONE, 2017; 12(10): e0187034. PMID: 29077727 .

2017

Original articles in indexed journals - Computational Science

Plattner N, Doerr S, De Fabritiis G, Noé F. Complete protein-protein association kinetics in atomic detail revealed by molecular dynamics simulations and Markov modelling. Nat Chem, 2017; 9(10): 1005-1011 . PMID: 28937668 . DOI: 10.1038/nchem.2785.

2017