Flame: an open source framework for model development, hosting, and usage in production environments

Autor: Manuel Pastor, José Carlos Gómez-Tamayo, Ferran Sanz

Publikováno v: Journal of Cheminformatics, Vol 13, Iss 1, Pp 1-15 (2021)

Abstract This article describes Flame, an open source software for building predictive models and supporting their use in production environments. Flame is a web application with a web-based graphic interface, which can be used as a desktop applicati

Externí odkaz: https://doaj.org/article/c352a6410d554ee2ba850498ce5d4d80

Untargeted Metabolomics for Disease-Specific Signatures

Autor: Constantina, Chalikiopoulou, José Carlos, Gómez-Tamayo, Theodora, Katsila

Publikováno v: Methods in molecular biology (Clifton, N.J.). 2571

Human diseases account for complex traits that usually exhibit markedly diverse clinical manifestations coming from a series of pathogenic processes that shape heterogeneous phenotypes. Considering that correlation does not imply causation as well as

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=pmid________::861a7a45275bf9848d726b30b978b00c
https://pubmed.ncbi.nlm.nih.gov/36152151

Ensemble prediction of mitochondrial toxicity using machine learning technology

Autor: Frank Bringezu, José Carlos Gómez-Tamayo, Manuel Pastor

Publikováno v: Computational Toxicology

Mitochondria are intracellular organelles found in most eukaryotic cells. Mitochondrial function includes the generation of cellular energy, maintenance of cellular homeostasis, and metabolic processes. Mitochondrial impairment has increasingly been

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a18d7e3afbb3e64fc4c6df858212c722
http://hdl.handle.net/10230/52488

TMSNP: a web server to predict pathogenesis of missense mutations in transmembrane region of membrane proteins

Autor: Adrián Garcia-Recio, José Carlos Gómez-Tamayo, Iker Reina, Mercedes Campillo, Arnau Cordomí, Mireia Olivella

The massive amount of data generated from genome sequencing have given rise to several mutation predictor tools although no mutation database or predictor tool have been developed specifically for the transmembrane region of membrane proteins.We pres

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::1f6ff2f56cb40b8197b3167233ca19ca

GPCRmd uncovers the dynamics of the 3D-GPCRome

Autor: Minos-Timotheos Matsoukas, David E. Gloriam, Ismael Rodríguez-Espigares, Agnieszka Sztyler, Davide Provasi, Arnau Cordomí, Peter Kolb, David Aranda-García, Toni Giorgino, Ferran Sanz, Mariona Torrens-Fontanals, Peter W. Hildebrand, Maria Marti-Solano, Mireia Olivella, Alejandro Varela-Rial, Gianni De Fabritiis, José Carlos Gómez-Tamayo, Laura Pérez-Benito, Tomasz Maciej Stepniewski, Eduardo Mayol, Silvana Vasile, Slawomir Filipek, Ulrich Zachariae, Jens Carlsson, Dorota Latek, Harel Weinstein, Gáspár Pándy-Szekeres, Przemyslaw Miszta, Willem Jespers, Nathalie Worp, Mireia Jiménez-Rosés, Juan Manuel Ramírez-Anguita, Marta Filizola, George Khelashvili, Angel Gonzalez, Brian Medel Lacruz, Pierre Matricon, Iván Rodríguez-Torrecillas, Xavier Deupi, Adrián Morales-Pastor, Jessica Sallander, Hugo Gutiérrez-de-Terán, Johanna K. S. Tiemann, Jana Selent, Jon Kapla, Ramon Guixà-González, Santiago Ríos

Publikováno v: Nature Methods
Nature methods (Online) 17 (2020): 777–787. doi:10.1038/s41592-020-0884-y
info:cnr-pdr/source/autori:Rodríguez-Espigares, Ismael; Torrens-Fontanals, Mariona; Tiemann, Johanna K.S.; Aranda-García, David; Ramírez-Anguita, Juan Manuel; Stepniewski, Tomasz Maciej; Worp, Nathalie; Varela-Rial, Alejandro; Morales-Pastor, Adrián; Medel-Lacruz, Brian; Pándy-Szekeres, Gáspár; Mayol, Eduardo; Giorgino, Toni; Carlsson, Jens; Deupi, Xavier; Filipek, Slawomir; Filizola, Marta; Gómez-Tamayo, José Carlos; Gonzalez, Angel; Gutiérrez-de-Terán, Hugo; Jiménez-Rosés, Mireia; Jespers, Willem; Kapla, Jon; Khelashvili, George; Kolb, Peter; Latek, Dorota; Marti-Solano, Maria; Matricon, Pierre; Matsoukas, Minos Timotheos; Miszta, Przemyslaw; Olivella, Mireia; Perez-Benito, Laura; Provasi, Davide; Ríos, Santiago; R. Torrecillas, Iván; Sallander, Jessica; Sztyler, Agnieszka; Vasile, Silvana; Weinstein, Harel; Zachariae, Ulrich; Hildebrand, Peter W.; De Fabritiis, Gianni; Sanz, Ferran; Gloriam, David E.; Cordomi, Arnau; Guixà-González, Ramon; Selent, Jana/titolo:GPCRmd uncovers the dynamics of the 3D-GPCRome/doi:10.1038%2Fs41592-020-0884-y/rivista:Nature methods (Online)/anno:2020/pagina_da:777/pagina_a:787/intervallo_pagine:777–787/volume:17

G-protein-coupled receptors (GPCRs) are involved in numerous physiological processes and are the most frequent targets of approved drugs. The explosion in the number of new three-dimensional (3D) molecular structures of GPCRs (3D-GPCRome) over the la

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::0cb6367e2808eb6eb81235f76f7853ad