Ara es mostren els items 1-20 de 35

  • A computational study of Neuromedin B 

    Sharma, Parul; Singh, Parvesh; Bisetty, Krishna; Pérez González, Juan Jesús (2011-09-15)
    Article
    Accés restringit per política de l'editorial
    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 ...
  • 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)
    Text en actes de congrés
    Accés obert
    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, Anna M.; Pérez González, Juan Jesús (Centre per a la Sostenibilitat, 2009-07-09)
    Comunicació de congrés / Text en actes de congrés
    Accés obert
    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
    Accés restringit per política de l'editorial
    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 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
    Accés restringit per política de l'editorial
    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 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
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    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 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
    Accés obert
    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
    Accés restringit per política de l'editorial
    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)
    Text en actes de congrés
    Accés obert
    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
    Accés restringit per política de l'editorial
    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
    Accés restringit per política de l'editorial
    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
    Accés restringit per política de l'editorial
    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
    Accés obert
    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
    Accés restringit per política de l'editorial
    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 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
    Accés obert
    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)
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    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 ...
  • Identification of a novel inhibitory allosteric site of MAP kinases 

    Gomez-Gutierrez, Patricia; Campos Muelas, Pedro Manuel; Vega, Miguel; Pérez González, Juan Jesús (2016-11-29)
    Article
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    In the present study, we report the discovery of a novel allosteric inhibitory site for p38a, a subclass of the mitogen-activated protein kinases (MAPK) family. The putative site was discovered after inspection of the ...
  • Identification of potential small molecule binding pockets in p38a MAP kinase 

    Gómez Gutierrez, Patricia; Rubio Martínez, Jaime; Pérez González, Juan Jesús (2017-10-23)
    Article
    Accés obert
    Given the essential role played by protein kinases in regulating cellular pathways, their dysregulation can result in the onset and/or progression of various human diseases. Structural analysis of diverse protein kinases ...
  • Mercury-induced dark-state instability and photobleaching alterations of the visual G-protein coupled receptor rhodopsin 

    Morillo Cazorla, Margarita; Toledo Gonzalez, Darwin; Pérez González, Juan Jesús; Ramon Portés, Eva; Garriga Solé, Pere (2014-07-01)
    Article
    Accés restringit per política de l'editorial
    Mercuric compounds were previously shown to affect the visual phototransduction cascade, and this could result in vision impairment. We have analyzed the effect of mercuric chloride on the structure and stability of the ...
  • Molecular determinants of the bacterial resistance to fluoroquinolones: A computational study 

    Lupala, Cecylia Severin; Gomez Gutierrez, Patricia; Pérez González, Juan Jesús (2013-06-13)
    Article
    Accés obert
    Abstract: Quinolones constitute a large class of antibacterial agents whose action is mediated through the formation of a ternary complex with DNA and either, DNA Gyrase or topoisomerase IV, resulting in the inhibition ...