Original articles in indexed journals - Computational Science

Landin EJ, Lovera S, de Fabritiis G, Kelm S, Mercier J, MacMillan D, Sessions R, Taylor R, Sands ZA, Joedicke L, Crump MP. The Aminotriazole Antagonist Cmpd-1 Stabilises a Novel Inactive State of the Adenosine 2A Receptor. Angew Chem Int Ed Engl, 2019; 58(28): 9399- 9403. PMID: 31095849 . DOI: 10.1002/anie.201902852.

2019

Original articles in indexed journals - Systems Pharmacology

Bofill A, Jalencas X, Oprea TI, Mestres J. The human endogenous metabolome as a pharmacology baseline for drug discovery. Drug Discovery Today, 2019; pii: S1359-6446 (19) 30104- 7. PMID: 31226432 . DOI: 10.1016/ j.drudis.2019.06.007.

2019

Original articles in indexed journals - Structural Bioinformatics

Picón-Pagès P, Bonet J, García-García J, Garcia-Buendia J, Gutierrez D, Valle J, Gómez-Casuso CES, Sidelkivska V, Alvarez A, Perálvarez-Marín A, Suades A, Fernàndez-Busquets X, Andreu D, Vicente R, Oliva B, Muñoz FJ. Human Albumin Impairs Amyloid beta-peptide Fibrillation Through its C-terminus: From docking Modeling to Protection Against Neurotoxicity in Alzheimer's disease. Comput Struct Biotechnol J, 2019; 17: 963-971  . PMID: 31360335 . DOI: 10.1016/j.csbj.2019.06.017.

2019

Original articles in indexed journals - Structural Bioinformatics

Menden MP, Wang D, Mason MJ, Szalai B, Bulusu KC, Guan Y, Yu T, Kang J, Jeon M, Wolfinger R, Nguyen T, Zaslavskiy M; AstraZeneca-Sanger Drug Combination DREAM Consortium (including Oliva B), Jang IS, Ghazoui Z, Ahsen ME, Vogel R, Neto EC, Norman T, Tang EKY, Garnett MJ, Veroli GYD, Fawell S, Stolovitzky G, Guinney J, Dry JR, Saez-Rodriguez J. Community assessment to advance computational prediction of cancer drug combinations in a pharmacogenomic screen. Nat Commun, 2019; 17; 10(1): 2674. PMID: 31209238 . DOI: 10.1038/s41467-019-09799-2.

2019

Original articles in indexed journals - Evolutionary Genomics

​Blevins WR, Carey LB, Albà MM. Transcriptomics data of 11 species of yeast identically grown in rich media and oxidative stress conditions. BMC Res Notes​,​ 2019; 12 (1): 250. PMID: 31053168 . DOI: 10.1186/ s13104-019-4286-0.

2019

Original articles in indexed journals - Integrative Biomedical Informatics

Nevado-Holgado AJ, Ribe E, Thei L, Furlong LI, Mayer MA, Quan J, Richardson JC, Cavanagh J, Consortium N, Lovestone S. Genetic and Real-World Clinical Data, Combined with Empirical Validation, Nominate Jak-Stat Signaling as a Target for Alzheimer's Disease Therapeutic Development. Cells, 2019; 8(5): E425. PMID: 31072055 . DOI: 10.3390/cells8050425.

2019

Original articles in indexed journals - Computational Science

Wang J, Olsson S, Wehmeyer C, Pérez A, Charron NE, de Fabritiis G, Noé F, Clementi C. Machine Learning of Coarse-Grained Molecular Dynamics Force Fields. ACS Cent Sci. 2019; 5(5): 755-767. PMID: 31139712 . DOI: 10.1021/acscentsci.8b00913.

2019

Original articles in indexed journals - Systems Pharmacology

Vogt I, Mestres J. Information Loss in Network Pharmacology. Mol Inf, 2019; 38: 1900032. PMID: 30957433 . DOI: 10.1002/ minf.201900032.

2019

Original articles in indexed journals - Evolutionary Genomics

Blevins WR, Tavella T, Moro SG, Blasco-Moreno B, Closa-Mosquera A, Díez J, Carey LB, Albà MM. Extensive post-transcriptional buffering of gene expression in the response to oxidative stress in baker's yeast. Sci Rep, 2019; 9: 11005 . PMID: 31358845 . DOI: 10.1101/501478.

2019

Original articles in indexed journals - NeuroGenomics

Lorente-Galdos B, Lao O, Serra-Vidal G, et al (including Santpere G). Whole-genome sequence analysis of a Pan African set of samples reveals archaic gene flow from an extinct basal population of modern humans into sub-Saharan populations. Genome Biol, 2019; 20(1): 77. PMID: 31023378 . DOI: 10.1186/s13059-019-1684-5.

2019