Now showing items 1-20 of 42

    • 6a Jornada d'Igualtat de la UPC. Una mirada al present 

      Torres Torres, Francisco; Martín Mallofré, Agustí; Garrido Soriano, Núria; Pérez González, Juan Jesús; Fernández Canti, Rosa M. (2019-02-06)
      Audiovisual
      Open Access
    • A computational study of Neuromedin B 

      Sharma, Parul; Singh, Parvesh; Bisetty, Krishna; Pérez González, Juan Jesús (2011-09-15)
      Article
      Restricted access - publisher's policy
      A methodological study has been undertaken to assess the conformational profile of Neuromedin B (NMB) using classical molecular dynamics simulations (MD) and replica exchange molecular dynamics (REMD) simulations under ...
    • Action potential propagation: ion current or intramembrane electric field? 

      Martí Cabarrocas, Albert; Pérez González, Juan Jesús; Madrenas Boadas, Jordi (2018-01-22)
      Article
      Open Access
      The established action potential propagation mechanisms do not satisfactorily explain propagation on myelinated axons given the current knowledge of biological channels and membranes. The flow across ion channels presents ...
    • Adsorció de l'herbicida Paraquat en Alginat de Calci 

      Ruiz Planas, Montserrat; Roset Calzada, María Lourdes; Barrón Zambrano, Jesús Alberto; Sastre, Anna M.; Pérez González, Juan Jesús (Centre per a la Sostenibilitat, 2009-07-09)
      Conference lecture / Conference report
      Open Access
      La sostenibilitat de l’ús de l’aigua esta lligada de forma fonamental al seu ús en l’agricultura. L’activitat agrària afecta directament la qualitat de les aigües. Els residus de fertilitzants i de productes fitosanitaris, ...
    • Adsorció de l'herbicida paraquat en alginat de calci 

      Ruiz Planas, Montserrat; Roset Calzada, María Lourdes; Barrón Zambrano, Jesús Alberto; Sastre Requena, Ana María; Pérez González, Juan Jesús (2009)
      Conference report
      Open Access
      La sostenibilitat de l’ús de l’aigua esta lligada de forma fonamental al seu ús en l’agricultura. L’activitat agrària afecta directament la qualitat de les aigües. Els residus de fertilitzants i de productes fitosanitaris, ...
    • Amygdalin analogues inhibit INF-gamma signalling reducing inflammatory response in human keratinocytes (HaCat) 

      Paoletti, Iole; De Gregorio, Vicenza; Baroni, Adone; Tufano, Maria Antonieta; Donnarumma, Giovanna; Pérez González, Juan Jesús (2013-12-02)
      Article
      Restricted access - publisher's policy
      Peptide T (PT), an octapeptide fragment located in the V2 region of the HIV-1 gp120- coating protein, appears to be bene fi cial in the treatment of psoriasis. Our previous investigations suggest that keratinocytes ...
    • Assessment of the conformational profile of bombesin by computational methods 

      Valverde Salamanca, Abel; Gómez Gutiérrez, Patricia; Pérez González, Juan Jesús (2020-07-20)
      Article
      Restricted access - publisher's policy
      In the present work, the results of a computational study aimed at assessing the conformational profile of bombesin are reported. The conformational space of the peptide was sampled by means of a 4 µs accelerated molecular ...
    • Assessment of the sampling performance of multiple-copy dynamics versus a unique trajectory 

      Pérez González, Juan Jesús; Tomás Belenguer, María Santos; Rubio Martínez, Jaime (2016-10-01)
      Article
      Restricted access - publisher's policy
      The goal of the present study is to ascertain the differential performance of a long molecular dynamics trajectory versus several shorter ones starting from different points in the phase space and covering the same sampling ...
    • Blockade of the interaction of calcineurin with foxo in astrocytes protects against Aß-induced neuronal death 

      Hervas, Rubén; Dominguez Fraile, Manuel; Garrido, Victoria; Gomez-Gutierrez, Patricia; Pérez González, Juan Jesús; Torres Aleman, Ignacio (2016-06-23)
      Article
      Open Access
      Astrocytes actively participate in neuro-inflammatory processes associated to Alzheimer’s disease (AD), and other brain pathologies. We recently showed that an astrocyte-specific intracellular signaling pathway involving ...
    • Blockade of the Interaction of Calcineurin with FOXO in Astrocytes Protects Against Amyloid-beta-Induced Neuronal Death 

      Fernandez, Ana M.; Hervas, Ruben; Dominguez Fraile, Manuel; Garrido Victoria, Navarro; Gómez Gutiérrez, Patricia; Vega, Miguel; Vitorica, Javier; Pérez González, Juan Jesús; Torres Aleman, Ignacio (2016-01-01)
      Article
      Open Access
      Astrocytes actively participate in neuro-inflammatory processes associated to Alzheimer's disease (AD), and other brain pathologies. We recently showed that an astrocyte-specific intracellular signaling pathway involving ...
    • Computational investigation of the conformational profile of the four stereomers of Ac-L-Pro-c(3)Phe-NHMe (c(3)Phe= 2,3-methanophenylalanine) 

      Rodríguez García, Alejandro; Cantó Silva, Josep; Corcho Sánchez, Francisco José; Pérez González, Juan Jesús (2009)
      Article
      Restricted access - publisher's policy
      The present report regards a computational study aimed at assessing the conformational profile of the four stereoisomers of the peptide Ace-Pro-c3Phe-NMe, previously reported to exhibit b-turn structures in dichloromethane ...
    • Computational study of substrates and mediators features of lacasses 

      Calafell Monfort, Margarita; Pérez González, Juan Jesús; Delavari, Azar (Campus de Terrassa de la UPC, 2013-06-13)
      Conference report
      Open Access
      Laccases are enzymes of the family of the multicopper oxidases, being widely used for biotechnological applications. The enzyme catalytic cycle consists in the oxidation of the substrate with the concomitant reduction of ...
    • Computational study of substrates and mediators features of lacasses 

      Delavari, Azar; Pérez González, Juan Jesús (2013-06-10)
      Article
      Restricted access - publisher's policy
      Laccases are enzymes of the family multicopper oxidases, being widely used for biotechnological applications (Canas & Camarero, 2010). The enzymes’ catalytic cycle consists of the oxidation of the substrate with the ...
    • Computational study of the free energy landscape of the miniprotein CLN025 in explicit and implicit solvent 

      Rodríguez García, Alejandro; Mokoema, Pol; Corcho Sánchez, Francisco José; Bisetty, Krishna; Pérez González, Juan Jesús (2010-02-17)
      Article
      Restricted access - publisher's policy
      The prediction capabilities of atomistic simulations of peptides are hampered by different difficulties, including the reliability of force fields, the treatment of the solvent or the adequate sampling of the conformational ...
    • Conformational diversity in contryphans from conus venom: Cis-trans isomerisation and aromatic/proline interactions in the 23-membered ring of a 7-residue peptide disulfide loop 

      Sonti, Rajesh; Gowd, Konkallu Hanumae; Rao, K. N Shashanka; Ragothama, Srinivasarao; Rodríguez García, Alejandro; Pérez González, Juan Jesús; Balaram, Padmanabhan (2013-11-05)
      Article
      Restricted access - publisher's policy
      Conformational diversity or “shapeshifting” in cyclic peptide natu- ral products can, in principle, confer a single molecular entity with the proper- ty of binding to multiple receptors. Conformational equilibria have ...
    • Conformational ensembles of neuromedin C reveal a progressive coil-helix transition within a binding-induced folding mechanism 

      Roca Adrover, Miquel; Sanchis, Pilar; Vilanova, Bartolome; Pauwels, Kris; Martorell, Gabriel; Pérez González, Juan Jesús (2015-01-01)
      Article
      Open Access
      Neuromedin C (NMC) is a peptide that regulates various processes in the central nervous system and gastrointestinal tract through its interaction with the bombesin receptor subtype-2 (BB2R). Hence, BB2R antagonists hold ...
    • Designing Peptidomimetics 

      Pérez González, Juan Jesús (2018-07-02)
      Article
      Open Access
      The concept of a peptidomimetic was coined about forty years ago. Since then, an enormous effort and interest has been devoted to mimic the properties of peptides with small molecules or pseudopeptides. The present report ...
    • Effect of set up protocols on the accuracy of alchemical free energy calculation over a set of ACK1 inhibitors 

      Granadino, Jose Manuel; Mey, Antonia S. J. S.; Pérez González, Juan Jesús; Bosisio, Stefano; Rubio Martínez, Jaime; Michel, Julien (Public Library of Science (PLOS), 2019-03-01)
      Article
      Open Access
      Hit-to-lead virtual screening frequently relies on a cascade of computational methods that starts with rapid calculations applied to a large number of compounds and ends with more expensive computations restricted to a ...
    • Effect of the solvent on the conformational behavior of the alanine dipeptide deduced from MD simulations 

      Rubio Martínez, Jaime; Tomás Belenguer, María Santos; Pérez González, Juan Jesús (2017-11-01)
      Article
      Open Access
      In general, peptides do not exhibit a well-defined conformational profile in solution. However, despite the experimental blurred picture associated with their structure, compelling spectroscopic evidence shows that peptides ...
    • 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 ...