Original articles in indexed journals - Computational Science

Noé F, De Fabritiis G, Clementi C. Machine learning for protein folding and dynamics. Curr Opin Struct Biol, 2020; 60: 77-84 . PMID: 31881449 . DOI: 10.1016/j.sbi.2019.12.005.

2020

Original articles in indexed journals - Evolutionary Genomics - Computational RNA Biology

de la Rubia I, Indi JA, Carbonell S, Lagarde J, Alba MM, Eyras E. Reference-free reconstruction and quantification of transcriptomes from long-read sequencing. bioRxiv, 2020 DOI: 10.1101/2020.02.08.939942.

2020

Original articles in indexed journals - Computational Science

Dainese E, Oddi S, Simonetti M, Sabatucci A, Angelucci CB, Ballone A, Dufrusine B, Fezza F, De Fabritiis G, Maccarrone M. The endocannabinoid hydrolase FAAH is an allosteric enzyme. Sci Rep, 2020; 10(1): 2292. PMID: 32041998 . DOI: 10.1038/s41598-020-59120-1.

2020

Original articles in indexed journals - Integrative Biomedical Informatics

Aarestrup FM , Albeyatti A, Van Oyen H et al (including Sanz F). Towards a European health research and innovation cloud (HRIC). Genome Medicine, 2020; 12: 18. PMID: 32075696 . DOI: 10.1186/s13073-020-0713-z.

2020

Original articles in indexed journals - Computational Science

Merz Jr KM, De Fabritiis G, Wei G. Generative Models for Molecular Design. J Chem Inf Model, 2020; 60(12): 5635-5636. PMID: 33378853 . DOI: 10.1021/acs.jcim.0c01388..

2020

Original articles in indexed journals - Structural Bioinformatics

Jorba G, Aguirre-Plans J, Junet V, Segú-Vergés C, Ruiz JL, Pujol A, Fernández-Fuentes N, Mas JM, Oliva B. In-silico simulated prototype-patients using TPMS technology to study a potential adverse effect of sacubitril and valsartan. PLoS One, 2020; 15 (2): e0228926  . PMID: 32053711 . DOI: 10.1371/journal.pone.0228926. eCollection 2020..

2020

Original articles in indexed journals - Integrative Biomedical Informatics

Piñero J, Ramírez-Anguita JM, Saüch-Pitarch J, Ronzano F, Centeno E, Sanz F, Furlong LI. The DisGeNET knowledge platform for disease genomics: 2019 update. Nucleic Acids Res, 2020; 48 (D1): D845-D855. PMID: 31680165 . DOI: 10.1093/nar/gkz1021.

2020

Original articles in indexed journals - Integrative Biomedical Informatics

Ferreira S, Fisher C, Furlong LI, Laplanche L, Park BK, Pin C, Saez-Rodriguez J, Trairatphisan P. Quantitative Systems Toxicology Modeling To Address Key Safety Questions in Drug Development: A Focus of the TransQST Consortium. Chem Res Toxicol, 2020; 33(1):7-9. PMID: 31909603 . DOI: 10.1021/acs.chemrestox.9b00499.

2020

Original articles in indexed journals - PharmacoInformatics

Krebs A, Nyffeler J, Karreman C, Schmidt BZ, Kappenberg F, Mellert J, Pallocca G, Pastor M, Rahnenführer J, Leist M. Determination of benchmark concentrations and their statistical uncertainty for cytotoxicity test data and functional in vitro assays. ALTEX, 2020; 37 (1): 155-163. PMID: 31833558 . DOI: 10.14573/altex.1912021.

2020

Original articles in indexed journals - PharmacoInformatics

Escher SE^*, Kamp H, Bennekou SH, Bitsch A, Fisher C, Graepel R, Hengstler JG, Herzler M, Knight D, Leist M, Norinder U, Ouédraogo G, Pastor M, Stuard S, White A, Zdrazil B, van de Water B, Kroese D. Towards grouping concepts based on new approach methodologies in chemical hazard assessment: the read-across approach of the EU-ToxRisk project. Arch Toxicol, 2019; 93(12): 3643-3667.. PMID: 31781791 . DOI: 10.1007/s00204-019-02591-7.

2019