Browsing by Author "König, Caroline"
Now showing items 1-16 of 16
-
A deep learning-based method for uncovering GPCR ligand-induced conformational states using interpretability techniques
Gutiérrez Mondragón, Mario Alberto; König, Caroline; Vellido Alcacena, Alfredo (Springer, 2022)
Conference report
Restricted access - publisher's policyThere is increasing interest in the development of tools for investigating the protein ligand space. Understanding the underlying mechanisms of G protein-coupled receptors (GPCR) in the ligand-binding process is of particular ... -
Ampliacions del programa Minermol Visualització i clustering
König, Caroline (Universitat Politècnica de Catalunya, 2007-01-26)
Master thesis (pre-Bologna period)
Open Access -
Analysis of class C G-protein coupled receptors using supervised classification methods
König, Caroline (Universitat Politècnica de Catalunya, 2018-10-30)
Doctoral thesis
Open AccessG protein-coupled receptors (GPCRs) are cell membrane proteins with a key role in regulating the function of cells. This is the result of their ability to transmit extracellular signals, which makes them relevant for ... -
Exploratory visualization of misclassified GPCRs from their transformed unaligned sequences using manifold learning techniques
Cárdenas Domínguez, Martha Ivón; Vellido Alcacena, Alfredo; König, Caroline; Alquézar Mancho, René; Giraldo Arjonilla, Jesús (Copicentro Granada, 2014)
Conference report
Open AccessClass C G-protein-coupled receptors (GPCRs) are cell membrane proteins of great relevance to biology and pharmacology. Previous research has revealed an upper boundary on the accuracy that can be achieved in their ... -
Finding class C GPCR subtype-discriminating n-grams through feature selection
König, Caroline; Alquézar Mancho, René; Vellido Alcacena, Alfredo; Giraldo Arjonilla, Jesús (Springer International Publishing, 2014)
Conference report
Open AccessG protein-coupled receptors (GPCRs) are a large and heterogeneous superfamily of receptors that are key cell players for their role as extracellular signal transmitters. Class C GPCRs, in particular, are of great interest ... -
Layer-wise relevance analysis for motif recognition in the activation pathway of the ß2-adrenergic GPCR receptor
Gutiérrez Mondragón, Mario Alberto; König, Caroline; Vellido Alcacena, Alfredo (2023-01-06)
Article
Open AccessG-protein-coupled receptors (GPCRs) are cell membrane proteins of relevance as therapeutic targets, and are associated to the development of treatments for illnesses such as diabetes, Alzheimer’s, or even cancer. Therefore, ... -
Long short-term memory to predict 3D amino acids positions in GPCR molecular dynamics
López Correa, Juan Manuel; König, Caroline; Vellido Alcacena, Alfredo (IOS Press, 2022)
Conference report
Open AccessG-Protein Coupled Receptors (GPCRs) are a big family of eukaryotic cell transmembrane proteins, responsible for numerous biological processes. From a practical viewpoint around 34% of the drugs approved by the US Food and ... -
Misclassification of class C G-protein-coupled receptors as a label noise problem
König, Caroline; Vellido Alcacena, Alfredo; Alquézar Mancho, René; Giraldo Arjonilla, Jesús (2014)
Conference lecture
Open AccessG-Protein-Coupled Receptors (GPCRs) are cell membrane proteins of relevance to biology and pharmacology. Their supervised classification in subtypes is hampered by label noise, which stems from a combination of expert ... -
Molecular dynamics forecasting of transmembrane regions in GPRCs by recurrent neural networks
López Correa, Juan Manuel; König, Caroline; Vellido Alcacena, Alfredo (Institute of Electrical and Electronics Engineers (IEEE), 2022)
Conference report
Open AccessG protein-coupled receptors are a large super-family of cell membrane proteins that play an important physiological role as transmitters of extra-cellular signals. Signal transmission through the cell membrane depends on ... -
Reducing the n-gram feature space of class C GPCRs to subtype-discriminating patterns
König, Caroline; Alquézar Mancho, René; Vellido Alcacena, Alfredo; Giraldo Arjonilla, Jesús (2014-10-23)
Article
Open AccessG protein-coupled receptors (GPCRs) are a large and heterogeneous superfamily of receptors that are key cell players for their role as extracellular signal transmitters. Class C GPCRs, in particular, are of great interest ... -
Sensitivity analysis of sensors in a hydraulic condition monitoring system using CNN models
König, Caroline; Helmi, Ahmed Mohamed (Multidisciplinary Digital Publishing Institute (MDPI), 2020-06-10)
Article
Open AccessCondition monitoring (CM) is a useful application in industry 4.0, where the machine’s health is controlled by computational intelligence methods. Data-driven models, especially from the field of deep learning, are efficient ... -
SVM-based classification of class C GPCRs from alignment-free physicochemical transformations of their sequences
König, Caroline; Cruz Barbosa, Raúl; Alquézar Mancho, René; Vellido Alcacena, Alfredo (Springer Berlin Heidelberg, 2013)
Conference report
Open AccessG protein-coupled receptors (GPCRs) have a key function in regulating the function of cells due to their ability to transmit extracelullar signals. Given that the 3D structure and the functionality of most GPCRs is unknown, ... -
Systematic analysis of primary sequence domain segments for the discrimination between class C GPCR subtypes
König, Caroline; Alquézar Mancho, René; Vellido Alcacena, Alfredo; Giraldo Arjonilla, Jesús (2018-03-01)
Article
Open AccessG-protein-coupled receptors (GPCRs) are a large and diverse super-family of eukaryotic cell membrane proteins that play an important physiological role as transmitters of extracellular signal. In this paper, we investigate ... -
The extracellular N-terminal domain suffices to discriminate class C G Protein-Coupled Receptor subtypes from n-grams of their sequences
König, Caroline; Alquézar Mancho, René; Vellido Alcacena, Alfredo; Giraldo Arjonilla, Jesús (Institute of Electrical and Electronics Engineers (IEEE), 2015)
Conference report
Open AccessThe investigation of protein functionality often relies on the knowledge of crystal 3-D structure. This structure is not always known or easily unravelled, which is the case of eukaryotic cell membrane proteins such as G ... -
Using machine learning tools for protein database biocuration assistance
König, Caroline; Shaim, Ilmira; Vellido Alcacena, Alfredo; Romero Merino, Enrique; Alquézar Mancho, René; Giraldo Arjonilla, Jesús (Nature, 2018-07-05)
Article
Open AccessBiocuration in the omics sciences has become paramount, as research in these fields rapidly evolves towards increasingly data-dependent models. As a result, the management of web-accessible publicly-available databases ... -
Visual characterization of misclassified Class C GPCRs through Manifold-based machine learning methods
Cárdenas Domínguez, Martha Ivón; Vellido Alcacena, Alfredo; König, Caroline; Alquézar Mancho, René; Giraldo Arjonilla, Jesús (2015-09-18)
Article
Open AccessG-protein-coupled receptors are cell membrane proteins of great interest in biology and pharmacology. Previous analysis of Class C of these receptors has revealed the existence of an upper boundary on the accuracy that can ...