Browsing by Author "Barradas-Bautista, Didier"
A systematic analysis of scoring functions in rigid-body protein docking: The delicate balance between the predictive rate improvement and the risk of overtraining Barradas-Bautista, Didier; Moal, Iain H.; Fernández-Recio, Juan (Wiley, 2017-07)
Open AccessProtein-protein interactions play fundamental roles in biological processes including signaling, metabolism, and trafficking. While the structure of a protein complex reveals crucial details about the interaction, it is ...
Barradas-Bautista, Didier; Moal, Iain H.; Fernández-Recio, Juan (Barcelona Supercomputing Center, 2015-05-05)
Open AccessWe have develop a machine learning framework to enhance protein-protein docking results, using Schulze voting method applied to several models from Support Vector machines.
Docking-based modeling of protein-protein interfaces for extensive structural and functional characterization of missense mutations Barradas-Bautista, Didier; Fernández-Recio, Juan (Public Library of Science, 2017-08-25)
Open AccessNext-generation sequencing (NGS) technologies are providing genomic information for an increasing number of healthy individuals and patient populations. In the context of the large amount of generated genomic data that is ...
IRaPPA: information retrieval based integration of biophysical models for protein assembly selection Moal, Iain H.; Barradas-Bautista, Didier; Jiménez-Garcia, Brian; Torchala, Mieczyslaw; van der Velde, Arjan; Vreven, Thom; Weng, Zhiping; Bates, Paul A.; Fernández-Recio, Juan (Oxford University Press, 2017-02-14)
Open AccessMotivation: In order to function, proteins frequently bind to one another and form 3D assemblies. Knowledge of the atomic details of these structures helps our understanding of how proteins work together, how mutations can ...
Structural Prediction of Protein–Protein Interactions by Docking: Application to Biomedical Problems Barradas-Bautista, Didier; Rosell, Mireia; Pallara, Chiara; Fernández-Recio, Juan (Academic Press, 2018)
Part of book or chapter of book
Open AccessA huge amount of genetic information is available thanks to the recent advances in sequencing technologies and the larger computational capabilities, but the interpretation of such genetic data at phenotypic level remains ...