Original articles in indexed journals - PharmacoInformatics

Rovida C, Barton-Maclaren T, Benfenati E, Caloni F, Chandrasekera C, Chesne C, Cronin M, De Knecht J, Dietrich D, Escher S, Fitzpatrick S, Flannery B, Herzler M, Hougaard Bennekou S, Hubesch B, Kamp H, Kisitu J, Kleinstreuer N, Kovarich S, Leist M, Maertens A, Nugent K, Pallocca G, Pastor M, Patlewicz G, Pavan M, Presgrave O, Smirnova L, Schwarz M, Yamada T, Hartung T. Internationalization of read-across as a validated new approach method (NAM) for regulatory toxicology. ALTEX, 2020.. PMID: 32369604 . DOI: 10.14573/altex.1912181.

2020

Original articles in indexed journals - Systems Pharmacology

Martí-Bonmatí L, Alberich-Bayarri Á, Ladenstein R, Blanquer I, Segrelles JD, Cerdá-Alberich L, Gkontra P, Hero B, García-Aznar JM, Keim D, Jentner W, Seymour K, Jiménez-Pastor A, González-Valverde I, Martínez de Las Heras B, Essiaf S, Walker D, Rochette M, Bubak M, Mestres J, Viceconti M, Martí-Besa G, Cañete A, Richmond P, Wertheim KY, Gubala T, Kasztelnik M, Meizner J, Nowakowski P, Gilpérez S, Suárez A, Aznar M, Restante G, Neri E. PRIMAGE project: predictive in silico multiscale analytics to support childhood cancer personalised evaluation empowered by imaging biomarkers. Eur Radiol Exp, 2020; 4(1):22. PMID: 32246291 . DOI: 10.1186/s41747-020-00150-9.

2020

Original articles in indexed journals - Evolutionary Genomics

​Ruiz-Orera​ J​, Villanueva-Cañas​ JL​, Albà​ MM​.  Evolution of new proteins from translated sORFs in long non-coding RNAs. Experimental Cell Research, 2020. PMID: 32156600 . DOI: 10.1016/j.yexcr.2020.111940.

2020

Original articles in indexed journals - Computational Science

Martinez-Rosell  G, Lovera S, Sands ZA, De Fabritiis G. PlayMolecule CrypticScout: Predicting Protein Cryptic Sites using Mixed-Solvent Molecular Simulations. J Chem Inf Model, 2020; 60 (4): 2314-2324. PMID: 32175736 . DOI: 10.1021/acs.jcim.9b01209.

2020

Original articles in indexed journals - GPCR Drug Discovery

Jaiteh M, Rodríguez-Espigares I, Selent J, Carlsson J. Performance of virtual screening against GPCR homology models: Impact of template selection and treatment of binding site plasticity. PLoS Comput Biol, 2020; 16(3): e1007680. PMID: 32168319 . DOI: 10.1371/journal.pcbi.1007680.

2020

Original articles in indexed journals - GPCR Drug Discovery

Sommer ME, Selent J, Carlsson J, De Graaf C, Gloriam DE, Keseru GM, Kosloff M, Mordalski S, Rizk A, Rosenkilde MM, Sotelo E, Tiemann JKS, Tobin A, Vardjan N, Waldhoer M, Kolb P. The European Research Network on Signal Transduction (ERNEST): Toward a Multidimensional Holistic Understanding of G Protein-Coupled Receptor Signaling. ACS Pharmacol Transl Sci, 2020; 3(2): 361-370. PMID: 32296774 . DOI: 10.1021/acsptsci.0c00024.

2020

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