Now showing items 1-9 of 9

    • A probabilistic approach to the visual exploration of G protein-coupled receptor sequences 

      Vellido Alcacena, Alfredo; Cárdenas, Martha Ivón; Olier Caparroso, Iván; Rovira, Xavier; Giraldo, Jesús (2011)
      Conference report
      Open Access
      The study of G protein-coupled receptors (GPCRs) is of great interest in pharmaceutical research, but only a few of their 3D structures are known at present. On the contrary, their amino acid sequences are known and ...
    • Flavonoid allosteric modulation of mutated visual rhodopsin associated with retinitis pigmentosa 

      Herrera Hernández, María Guadalupe; Ramon Portés, Eva; Lupala, Cecylia Severin; Tena Campos, Mercè; Pérez González, Juan Jesús; Garriga Solé, Pere (Macmillan Publishers, 2017-12-01)
      Article
      Open Access
      Dietary flavonoids exhibit many biologically-relevant functions and can potentially have beneficial effects in the treatment of pathological conditions. In spite of its well known antioxidant properties, scarce structural ...
    • GPCR molecular dynamics forecasting using recurrent neural networks 

      López Correa, Juan Manuel; König, Caroline; Vellido Alcacena, Alfredo (Springer Nature, 2023)
      Article
      Open Access
      G protein-coupled receptors (GPCRs) are a large superfamily of cell membrane proteins that play an important physiological role as transmitters of extracellular signals. Signal transmission through the cell membrane depends ...
    • 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 Access
      G-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 ...
    • 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 Access
      G 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 ...
    • Molecular features characterizing non-peptide selectivity to the human B1 and B2 bradykinin receptors 

      Rasaeifar, B.; Lupala, C.S.; Gómez Gutierrez, Patricia; Pérez González, Juan Jesús (2019-01-01)
      Article
      Restricted access - publisher's policy
      Bradykinin is produced in response to inflammation, trauma, burns, shock, allergy and some cardiovascular diseases. Actions of this peptide are mediated through two different G-protein coupled receptors, named B1 and B2 ...
    • Structural and functional alterations associated with deutan N94K and R330Q mutations of green cone opsin 

      Srinivasan, Sundaramoorthy; Fernández Sampedro, Miguel Antonio; Ramon Portés, Eva; Garriga Solé, Pere (2017-07-01)
      Article
      Restricted access - publisher's policy
      Deuteranopia is an X-linked congenital dichromatic condition in which single point mutations in green cone opsin lead to defective non-functional cone photoreceptor cells. Green cone opsin belongs to the G protein-coupled ...
    • Using molecular dynamics for the refinement of atomistic models of GPCRs by homology modeling 

      Lupala, Cecylia Severin; Rasaeifar, Bahareh; Gómez Gutiérrez, Patricia; Pérez González, Juan Jesús (2017-08-13)
      Article
      Open Access
      Despite GPCRs sharing a common seven helix bundle, analysis of the diverse crystallographic structures available reveal specific features that might be relevant for ligand design. Despite the number of crystallographic ...
    • Using random forests for assistance in the curation of G-protein coupled receptor databases 

      Shkurin, Aleksei; Vellido Alcacena, Alfredo (2017-08-18)
      Article
      Open Access
      Background: Biology is experiencing a gradual but fast transformation from a laboratory-centred science towards a data-centred one. As such, it requires robust data engineering and the use of quantitative data analysis ...