Original articles in indexed journals - Computational Science

Olehnovics E, Yin JQ, Perez A, De Fabritiis G, Bonomo RA, Bhowmik D, Haider S. The Role of Hydrophobic Nodes in the Dynamics of Class A β-Lactamases. Front Microbiol, 2021; 12: 72099 DOI: 10.3389/fmicb.2021.720991.

2021

Original articles in indexed journals - NeuroGenomics

Aldinger KA, Thomson Z, Phelps IG,  Haldipur P, Deng M, Timms AE, Hirano M, Santpere G at al. Spatial and cell type transcriptional landscape of human cerebellar development. Nat Neurosci, 2021; 24(8):1163-1175. PMID: 34140698 . DOI: 10.1038/s41593-021-00872-y.

2021

Original articles in indexed journals - GPCR Drug Discovery

Giubilaro J, Schuetz DA, Stepniewski T, Namkung Y, Khoury E, Lara-Márquez M, Campbell S, Beautrait A, Armando S, Radresa O, Duchaine J, Lamarche-Vane N, Claing A, Selent J, Bouvier M, Marinier A, Laporte SA*. Discovery of a dual Ras and ARF6 inhibitor from a GPCR endocytosis screen. Nat Commun 2021; 12(1): 4688. PMID: 34344896 . DOI: 10.1038/s41467-021-24968-y.

2021

Original articles in indexed journals - Integrative Biomedical Informatics

Aerts H, Kalra D, Sáez C, Ramírez-Anguita JM, Mayer MA, Garcia-Gomez JM, Durà-Hernández M, Thienpont G, Coorevits P. Quality of Hospital Electronic Health Record (EHR) Data Based on the International Consortium for Health Outcomes Measurement (ICHOM) in Heart Failure: Pilot Data Quality Assessment Study. JMIR Med Inform, 2021; 4; 9(8): e27842. PMID: 34346902 . DOI: 10.2196/27842.

2021

Original articles in indexed journals - Systems Pharmacology

Falaguera MJ, Mestres J. Congenericity of Claimed Compounds in Patent Applications. Molecules, 2021; 30;26(17): 5253. PMID: 34500686 . DOI: 10.3390/molecules26175253.

2021

PhD Thesis - Structural Bioinformatics

Meseguer A. Methods to model and assess protein-DNA and protein-protein interactions in the context of gene regulation.  Universitat Pompeu Fabra. July, 2nd 2021. Thesis Director: Oliva B.

2021

PhD Thesis - Structural Bioinformatics

Aguirre J. ​In silico tools to study diseases and polypharmacology through the lens of network medicine.  Universitat Pompeu Fabra. July, 14th 2021. Thesis Director: Oliva B.

2021

Original articles in indexed journals - GPCR Drug Discovery

Stepniewski TM, Mancini A, Agren R, Torrens-Fontanals M, M Semache, Bouvier M, Sahlholm K, Breton B, Selent J . Mechanistic insights into dopaminergic and serotonergic neurotransmission-concerted interactions with helices 5 and 6 drive the functional outcome. Chem Sci, 2021; 2; 12(33): 10990-11003.. PMID: 34522296 . DOI: 10.1039/D1SC00749A.

2021

Original articles in indexed journals - NeuroGenomics

Taylor SR, Santpere G, Weinreb A, Barrett A, Reilly MB, Xu C, Varol E, Oikonomou P, Glenwinkel L, McWhirter R, Poff A, Basavaraju M, Rafi I, Yemini E, Cook SJ, Abrams A, Vidal B, Cros C, Tavazoie S, Sestan N, Hammarlund M, Hobert O, Miller DM 3rd. Molecular topography of an entire nervous system. Cell, 2021; S0092-8674(21)00758-3. PMID: 34237253 . DOI: 10.1016/j.cell.2021.06.023.

2021

Original articles in indexed journals - GPCR Drug Discovery

Kumar GA, Sarkar P, Stepniewski T, Jafurulla M, Singh SP, Selent J*, Chattopadhyay A*. A molecular sensor for cholesterol in the human serotonin 1A receptor. Sci Adv 2021; 7(30): eabh2922. PMID: 34301606 . DOI: 10.1126/sciadv.abh2922.

2021