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PhD Thesis - Computational Science

Pérez A. Learning How to Simulate: applying machine learning methods to improve molecular dynamics simulations. Universitat Pompeu Fabra. January, 27th 2022. Thesis Director: De Fabritiis G.

2022

Original articles in indexed journals - Computational Science

Varela-Rial A, Maryanow I, Majewski M, Doerr S, Schapin N, Jiménez-Luna J, De Fabritiis G. PlayMolecule Glimpse: Understanding Protein-Ligand Property Predictions with Interpretable Neural Networks. J Chem Inf Model, 2022; 62(2): 225-231 . PMID: 34978201 . DOI: 10.1021/acs.jcim.1c00691.

2022

Original articles in indexed journals - Computational RNA Biology

Bournazos et al (including Eyras E). Standardized practices for RNA diagnostics using clinically accessible specimens reclassifies 75% of putative splicing variants. Genetics in Medicine, 2022; 24: 130-145 

 
. PMID: 34906502 . DOI:  10.1016/j.gim.2021.09.001.

2022

Original articles in indexed journals - GPCR Drug Discovery

Torrens-Fontanals M, Peralta-García A, Talarico C, Guixà-González R, Giorgino T, Selent J. SCoV2-MD: a database for the dynamics of the SARS-CoV-2 proteome and variant impact predictions. Nucleic Acids Res, 2022; 50(D1): D858-D866. PMID: 34761257 . DOI: 10.1093/nar/gkab977.

2022

Original articles in indexed journals - GPCR Drug Discovery

Peralta-Garcia A, Torrens-Fontanals M, Stepniewski TM, Grau-Expósito J, Perea D, Ayinampudi V, Waldhoer M, Zimmermann M, Buzón MJ, Genescà M, Selent J. Entrectinib-A SARS-CoV-2 Inhibitor in Human Lung Tissue (HLT) Cells. Int J Mol Sci, 2021; 22(24):13592. PMID: 34948390 . DOI: 10.3390/ijms222413592.

2021

Original articles in indexed journals - Integrative Biomedical Informatics

Fiol-deRoque MA, Serrano-Ripol MJ, Gens-Barberà M, Sánchez E, Mayer MA, Martín-Luján F, Valderas JM, Ricci-Cabello I. Impacto de la pandemia de COVID-19 en la seguridad del paciente percibida por los pacientes en Atención Primaria [Impact of the COVID-19 pandemic on patient-reported patient safety in Primary Care]. Aten Primaria, 2021; 53 (Suppl 1): 102222. PMID: 34961582 . DOI: 10.1016/j.aprim.2021.102222.

2021

Original articles in indexed journals - Structural Bioinformatics

Pallarès-Masmitjà M, Ivančić D, Mir-Pedrol J, Jaraba-Wallace J, Tagliani T, Oliva B, Rahmeh A, Sánchez-Mejías A, Güell M. Find and cut-and-transfer (FiCAT) mammalian genome engineering. Nat Commun, 2021; 3;12(1): 7071. PMID: 34862378 . DOI: 10.1038/s41467-021-27183-x.

2021

Original articles in indexed journals - Evolutionary Genomics

Senís E, Esgleas M, Najas S, Jiménez-Sábado V, Bertani C, Giménez-Alejandre M, Escriche A, Ruiz-Orera J, Hergueta-Redondo M, Jiménez M, Giralt A, Nuciforo P, Albà MM, Peinado H, Del Toro D, Hove-Madsen L, Götz M, Abad M. TUNAR lncRNA Encodes a Microprotein that Regulates Neural Differentiation and Neurite Formation by Modulating Calcium Dynamics. Front Cell Dev Biol, 2021; 9:747667. PMID: 35036403 . DOI: 10.3389/fcell.2021.747667.

2021



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