Ara es mostren els items 27-43 de 43

    • Journal of Structural Biology 

      Zanuy Gomara, David; Kotla, Rohith; Nussinov, Ruth; Teesalu, Tambet; Sugahara, Kazuki N.; Alemán Llansó, Carlos; Haspel, Nurit (2013-02-24)
      Article
      Accés restringit per política de l'editorial
      Neuropilin-1 (NRP-1) is a hub receptor that plays an essential role in angiogenesis and vascular perme- ability. It is over-expres sed in the new blood vessels grown by tumor cells and is a target for anti-tumor treatment ...
    • Modeling of a C-end rule peptide adsorbed onto gold nanoparticles 

      Triguero Enguídanos, Jordi; Flores Ortega, Alejandra; Zanuy Gomara, David; Alemán Llansó, Carlos (2018-01-01)
      Article
      Accés restringit per política de l'editorial
      The RPAR peptide, a prototype C-end Rule (CendR) sequence that binds to neuropilin-1 (NRP-1), has potential therapeutic uses as internalization trigger in anticancer nanodevices. Recently, the functionalization of gold ...
    • Modeling the tetraphenylalanine-PEG hybrid amphiphile: from DFT calculations on the peptide to molecular dynamics simulations on the conjugate 

      Zanuy Gomara, David; Hamley, I. W.; Alemán Llansó, Carlos (2011-07-21)
      Article
      Accés restringit per política de l'editorial
      The conformational properties of the hybrid amphiphile formed by the conjugation of a hydrophobic peptide with four phenylalanine (Phe)residues and hydrophilic poly(ethylene glycol), have been investigated using quantum ...
    • NCAD, a database integrating the intrinsic conformational preferences of non-coded amino acids 

      Alemán Llansó, Carlos; Grodzinski, Piotr; Nussinov, Ruth; Revilla López, Guillermo; Torras Costa, Juan; Curcó, David; Casanovas, Jordi; Calaza, Maria Isabel; Zanuy Gomara, David; Jimenez Sanz, Ana Isabel; Cativiela, Carlos (2010-05-10)
      Article
      Accés obert
      Peptides and proteins find an ever-increasing number of applications in the biomedical and materials engineering fields. The use of non-proteinogenic amino acids endowed with diverse physicochemical and structural ...
    • Parameterization of the torsional potential for calix[4]arene-substituted poly(thiophene)s 

      Preat, Julien; Rodríguez Ropero, Francisco; Torras Costa, Juan; Bertran Cànovas, Òscar; Zanuy Gomara, David; Alemán Llansó, Carlos (2010-06)
      Article
      Accés restringit per política de l'editorial
      Three different strategies have been followed to develop the torsional force-field parameters of the interring dihedral angles for calix[4]arene-substituted poly(thiophene)s, a family of highly sensitive ion receptors. ...
    • Química orgànica : temari i problemes 

      Armelín Diggroc, Elaine Aparecida; Iribarren Laco, José Ignacio; Torras Costa, Juan; Zanuy Gomara, David (Universitat Politècnica de Catalunya, 2018)
      Problema, exercici
      Accés obert
    • Resolving the subnanometric structure of ultrathin films of poly(3,4-ethylenedioxythiophene) on steel surfaces: A molecular modeling approach 

      Zanuy Gomara, David; Alemán Llansó, Carlos (2013-12-28)
      Article
      Accés obert
      Poly(3,4-ethylenedioxythiophene), abbreviated PEDOT, is one of the most outstanding electroactive polymers, whose applications cover a wide range of fields from biomedicine to electronic components. In this work the ...
    • Response of crown ether functionalized polythiophenes to alkaline ions 

      Zanuy Gomara, David; Preat, Julien; Perpete, Eric A.; Alemán Llansó, Carlos (2012-04-19)
      Article
      Accés obert
      The sensing response of 15-crown-5-ether functionalized polythiophene to Li+, Na+, and K+ has been investigated at the atomistic level using molecular dynamics simulations. The stability associated with all the identified ...
    • Self-Assembly of a Designed Amyloid Peptide Containing the Functional Thienylalanine Unit 

      Zanuy Gomara, David; Revilla López, Guillermo; Hamley, I. W.; Brown, Gordon D.A.; Castelletto, V.; Cheng, G.; Venanzi, M.; Caruso, M.; Placidi, E.; Alemán Llansó, Carlos (2010-08-19)
      Article
      Accés restringit per política de l'editorial
      The self-assembly of a peptide based on a sequence from the amyloid peptide but incorporating the nonnatural amino acid -2-thienylalanine (2-Thi) has been investigated in aqueous and methanol solutions. The peptide ...
    • Self-standing, conducting and capacitive biomimetic hybrid nanomembranes for selective molecular ion separation 

      Puiggalí Bellalta, Jordi; Molina García, Brenda Guadalupe; Lopes Rodrigues, Maximilien; Michaux, Catherine Anne Gisèle; Perpète, Eric A.; Zanuy Gomara, David; Alemán Llansó, Carlos (Royal Society of Chemistry (RSC), 2021-08-14)
      Article
      Accés obert
      Hybrid free-standing biomimetic materials are developed by integrating the VDAC36 ß-barrel protein into robust and flexible three-layered polymer nanomembranes. The first and third layers are prepared by spin-coating a ...
    • Sequence dependence of C-end rule peptides in binding and activation of > neuropilin-1 receptor 

      Zanuy Gomara, David; Kotla, Rohith; Nussinov, Ruth; Teesalu, Tambet; Sugahara, Kazuki N.; Alemán Llansó, Carlos; Haspel, Nurit (2013-05)
      Article
      Accés restringit per política de l'editorial
      Neuropilin-1 (NRP-1) is a hub receptor that plays an essential role in angiogenesis and vascular permeability. It is over-expressed in the new blood vessels grown by tumor cells and is a target for anti-tumor treatments. ...
    • Simulación de estructuras y propiedades de poliamidas helicoidales 

      Zanuy Gomara, David (Universitat Politècnica de Catalunya, 2001-05-28)
      Tesi
      Accés obert
      Los objetivos que se persiguen la memoria presentada puede desglosarse en dos grandes bloques temáticos, los cuales están estrechamente relacionados.<br/><br/>1) El estudio conformacional y estructural de diferentes ...
    • Solvent effects on the properties of hyperbranched polythiophenes 

      Torras Costa, Juan; Zanuy Gomara, David; Aradilla, David; Alemán Llansó, Carlos (2016-08-11)
      Article
      Accés obert
      The structural and electronic properties of all-thiophene dendrimers and dendrons in solution have been evaluated using very different theoretical approaches based on quantum mechanical (QM) and hybrid QM/molecular mechanics ...
    • Structural and functional characterization of Solanum tuberosum VDAC36 

      Lopes Rodrigues, Maximilien; Matagne, André; Zanuy Gomara, David; Alemán Llansó, Carlos; Perpète, Eric A.; Michaux, Catherine Anne Gisèle (2020-06-24)
      Article
      Accés obert
      As it forms water-filled channel in the mitochondria outer membrane and diffuses essential metabolites such as NADH and ATP, the voltage-dependent anion channel (VDAC) protein family plays a central role in all eukaryotic ...
    • Structural preferences of an anti-fouling peptide: From single chain to small molecular assemblies 

      Zanuy Gomara, David; Nir, Sivan; Alemán Llansó, Carlos; Reches, Meital (2021-05-01)
      Article
      Accés obert
      The structural features of a tripeptide constituted by two different non-coded amino acids, 3,4-dihydroxy-L-phenylalanine (L-DOPA) and 4-fluoro-Phenylalanine, (Phe(4F)), have been investigated by means of classical mechanics ...
    • Synergistic computational-experimental approach to improve ionene polymer-based functional hydrogels 

      Bachl, Jürgen; Zanuy Gomara, David; López Pérez, Daniel Ernesto; Revilla López, Guillermo; Cativiela, Carlos; Alemán Llansó, Carlos; Diaz Diaz, David (2014-08-20)
      Article
      Accés restringit per política de l'editorial
      The manifold applications of ionene-based materials such as hydrogels in daily life, biomedical sciences, and industrial processes are a consequence of their unique physical and chemical properties, which are governed by ...
    • Tailoring the self-assembly of a tripeptide for the formation of antimicrobial surfaces 

      Nir, Sivan; Zanuy Gomara, David; Zada, Tal; Agazani, Omer; Alemán Llansó, Carlos; Shalev, Deborah E.; Reches, Meital (2019-05-14)
      Article
      Accés obert
      The accumulation of bacteria on surfaces is currently one of the greatest concerns f or the supply of proper health, water and energy. Here, we describe the mechanism by which a single peptide forms two ...