Tools


Home > Publications


Publications

Results 11 - 20 of about 1325

Original articles in indexed journals - Computational Biophysics

Pérez A, Martínez-Rosell G, De Fabritiis G. Simulations meet machine learning in structural biology. Curr Opin Struct Biol, 2018; 49: 139-144 . PMID: 29477048 . DOI: 10.1016/j.sbi.2018.02.004.

2018

Original articles in indexed journals - Computational Biophysics

Martinez-Rosell G, Harvey MJ, De Fabritiis G. Molecular Simulation-Driven Fragment Screening for the Discovery of New CXCL12 Inhibitors. J Chem Inf Model, 2018 . PMID: 29481075 . DOI: 10.1021/acs.jcim.7b00625.

2018

Original articles in indexed journals - Computational Biophysics

Jiménez Luna J, Skalic M, Martinez-Rosell G, De Fabritiis G. K-DEEP: Protein-ligand absolute binding affinity prediction via 3D-convolutional neural networks. J Chem Inf Model, 2018 . PMID: 29309725 . DOI: 10.1021/acs.jcim.7b00650.

2018

Original articles in indexed journals - Evolutionary Genomics

Faherty SL, Villanueva-Cañas JL, Blanco MB, Albà MM, Yoder AD. Transcriptomics in the wild: hibernation physiology in free-ranging dwarf lemurs. Mol Ecol, 2018 . PMID: 29319912 . DOI: 10.1111/mec.14483.

2018

Original articles in indexed journals - Computational Biophysics

Ferruz N, Doerr S, Vanase-Frawley MA, Zou Y, Chen X, Marr ES, Nelson RT, Kormos BL, Wager TT, Hou X, Villalobos A, Sciabola S, De Fabritiis G. Dopamine D3 receptor antagonist reveals a cryptic pocket in aminergic GPCRs. Sci Rep, 2018; 8(1): 897 . PMID: 29343833 . DOI: 10.1038/s41598-018-19345-7.

2018

Original articles in indexed journals - Integrative Biomedical Informatics

Gutiérrez-Sacristán A, Guedj R, Korodi G, Stedman J, Furlong LI, Patel CJ, Kohane IS, Avillach P. Rcupcake: an R package for querying and analyzing biomedical data through the BD2K PIC-SURE RESTful API. Bioinformatics, 2017 . PMID: 29267850 . DOI: 10.1093/bioinformatics/btx788.

2017

PhD Thesis - Computational Biophysics

Martínez G. Applications of molecular dynamics in drug discovery and technology transfer via a web-based platform. Universitat Pompeu Fabra. December, 20th 2017. Thesis Director: de Fabritiis G.

2017

PhD Thesis - Integrative Biomedical Informatics

Gutiérrez-Sacristán, A. A bioinformatics approach to the study of comorbidity. Insight into mental disorders. Universitat Pompeu Fabra. December, 15th 2017. Thesis Director: Furlong LI.

2017

Original articles in indexed journals - PharmacoInformatics

Nolte TM, Pinto-Gil K, Hendriks AJ, Ragas AMJ, Pastor M. Quantitative structure-activity relationships for primary aerobic biodegradation of organic chemicals in pristine surface waters: starting points for predicting biodegradation under acclimatization. Environ Sci Process Impacts, 2017 . PMID: 29192704 . DOI: 10.1039/c7em00375g.

2017

Original articles in indexed journals - Computational Biophysics

De Mol E, Szulc E, Di Sanza C, Martínez-Cristóbal P, Bertoncini CW, Fenwick RB, Frigolé-Vivas M, Masín M, Hunter I, Buzón V, Brun-Heath I, García J, De Fabritiis G, Estébanez-Perpiñá E, McEwan IJ, Nebreda ÁR, Salvatella X. Regulation of Androgen Receptor Activity by Transient Interactions of Its Transactivation Domain with General Transcription Regulators. Structure, 2017 . PMID: 29225078 . DOI: 10.1016/j.str.2017.11.007.

2017



Site Information