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1 to 50 of 144 results
 
  • Elucidating the mechanism of interaction between peptides and inorganic surfaces

     Maity, S.; Zanuy, D.; Razvag, Y.; Das, P.; Aleman, C.; Reches, M.
    Physical chemistry chemical physics
    Vol. 17, num. 23, p. 15305-15315
    DOI: 10.1039/c5cp00088b
    Date of publication: 2015-01-01
    Journal article
  • Design Based on Chemical Similarity of Electroactive Polymer-Peptide Conjugates for Tissue Engineering

     Armelin, E.; Maione, S.; Fabregat, G.; Ballano, G.; Laurent, A.; Triguero, J.; Jacquemin, D.; Zanuy, D.; Cativiela, C.; Aleman, C.
    European Polymer Congress
    p. 207
    Presentation of work at congresses
  • Electroactive polymer-peptide conjugates for adhesive biointerfaces

     Maione, S.; Gil, A.; Fabregat, G.; del Valle, LJ.; Triguero, J.; Laurent, A.; Jacquemin, D.; Estrany, F.; Jimenez, A.; Zanuy, D.; Cativiela, C.; Aleman, C.
    Biomaterials science
    Vol. 3, num. 10, p. 1395-1405
    DOI: 10.1039/c5bm00160a
    Date of publication: 2015-01-01
    Journal article
  • Synergistic computational-experimental approach to improve ionene polymer-based functional hydrogels

     Bachl, J.; Zanuy, D.; Lopez, D.; Revilla-López, G.; Cativiela, C.; Aleman, C.; Diaz, D.
    Advanced functional materials
    Vol. 24, num. 31, p. 4893-4904
    DOI: 10.1002/adfm.201304230
    Date of publication: 2014-08-20
    Journal article
  • A single-residue substitution inhibits fibrillization of Ala-based pentapeptides. A spectroscopic and molecular dynamics investigation  Open access

     Caruso, M.; Gatto, E.; Placidi, E.; Venanzi, Mariano; Ballano, M.; Formaggio, F.; Toniolo, C.; Zanuy, D.; Aleman, C.
    Soft matter
    Vol. 10, num. 15, p. 2508-2519
    DOI: 10.1039/c3sm52831f
    Date of publication: 2014-01-01
    Journal article
    Access to the full text
  • Resolving the subnanometric structure of ultrathin films of poly(3,4-ethylenedioxythiophene) on steel surfaces: A molecular modeling approach  Open access

     Zanuy, D.; Aleman, C.
    Soft matter
    Vol. 9, num. 48, p. 11634-11644
    DOI: 10.1039/c3sm52477a
    Date of publication: 2013-12-28
    Journal article
    Access to the full text
  • Sequence dependence of C-end rule peptides in binding and activation of neuropilin-1 receptor

     Zanuy, D.; Kotla, R.; Nussinov, R.; Teesalu, T.; Sugahara, K.; Aleman, C.; Haspel
    Journal of structural biology
    Vol. 182, num. 2, p. 78-86
    DOI: 10.1016/j.jsb.2013.02.006
    Date of publication: 2013-02-24
    Journal article
  • Conformational aspects and molecular dynamics simulations of peptide hybrid materials

     Aleman, C.; Bertran, O.; Jubany, J.; Revilla-López, G.; Torras, J.; Zanuy, D.
    DOI: 10.1002/9781118592403.ch3
    Date of publication: 2013-01-01
    Book chapter
    Image
  • Atomistic organization and characterization of tube-like assemblies comprising peptide-polymer conjugates: computer simulation studies  Open access

     Bertran, O.; Curcó, D.; Zanuy, D.; Aleman, C.
    Faraday Discussions
    Vol. 166, p. 59-82
    DOI: 10.1039/c3fd00079f
    Date of publication: 2013
    Journal article
    Access to the full text
  • Engineering strategy to improve peptide analogs: from structure-based computational design to tumor homing

     Zanuy, D.; Sayago, F.J.; Revilla-López, G.; Ballano, G.; Agemy, L.; Kotamraju, V.; Jimenez, A.; Cativiela, C.; Nussinov, R.; Sawvel, A.; Ruoslahti, E.; Stucky, G.; Aleman, C.
    Journal of computer-aided molecular design
    Vol. 27, num. 1, p. 31-43
    DOI: 10.1007/s10822-012-9623-5
    Date of publication: 2013-01
    Journal article
  • POLIMEROS CONDUCTORES Y SUS DERIVADOS HIBRIDOS CON APLICACIONES AVANZADAS

     Estrany, F.; Armelin, E.; Zanuy, D.; Iribarren, J.; Sanchez, M.; Torras, J.; Bertran, O.; Aleman, C.
    Competitive project
  • Examining the formation of specific interactions between poly(3,4-ethylenedioxythiophene) and nucleotide bases

     Zanuy, D.; Teixeira-Dias, Bruno; del Valle, LJ.; Poater, J.; Solà, M.; Aleman, C.
    RSC advances
    Vol. 3, num. 8, p. 2639-2649
    DOI: 10.1039/c2ra22640e
    Date of publication: 2012-12-17
    Journal article
  • Conformational Exploration of Two Peptides and Their Hybrid Polymer Conjugates: Potentialities As Self-Aggregating Materials

     Haspel; Laurent, A.; Zanuy, D.; Nussinov, R.; Aleman, C.; Puiggali, J.; Revilla-López, G.
    Journal of physical chemistry B
    Vol. 116, num. 48, p. 13941-13952
    DOI: 10.1021/jp3043363
    Date of publication: 2012-12-06
    Journal article
  • Intermolecular interactions in electron transfer through stretched helical peptides

     Lopez, D.; Revilla-López, G.; Jacquemin, D.; Zanuy, D.; Palys, B.; Sek, S.; Aleman, C.
    Physical chemistry chemical physics
    Vol. 14, num. 29, p. 10332-10344
    DOI: 10.1039/c2cp40761b
    Date of publication: 2012-08-07
    Journal article
  • Response of crown ether functionalized polythiophenes to alkaline ions  Open access

     Zanuy, D.; Preat, J.; Perpete, E.; Aleman, C.
    Journal of physical chemistry B
    Vol. 116, num. 15, p. 4575-4583
    DOI: 10.1021/jp209959a
    Date of publication: 2012-04-19
    Journal article
    Access to the full text
  • Modeling the tetraphenylalanine-PEG hybrid amphiphile: from DFT calculations on the peptide to molecular dynamics simulations on the conjugate

     Zanuy, D.; Hamley, .; Aleman, C.
    Journal of physical chemistry B
    Vol. 115, num. 28, p. 8937-8946
    DOI: 10.1021/jp2031187
    Date of publication: 2011-07-21
    Journal article
  • Integrating the intrinsic conformational preferences of noncoded alpha-amino acids modified at the peptide bond into the Noncoded Amino acids Database

     Revilla-López, G.; Rodriguez, F.; Curcó, D.; Torras, J.; Calaza, M.I.; Zanuy, D.; Jimenez, A.; Cativiela, C.; Nussinov, R.; Aleman, C.
    Proteins
    Vol. 79, num. 6, p. 1841-1852
    DOI: 10.1002/prot.23009
    Date of publication: 2011-06
    Journal article
  • Binding of cationic conjugated polymers to DNA: Atomistic simulations of adducts involving the Dickerson's dodecamer

     Preat, J.; Zanuy, D.; Perpete, E.; Aleman, C.
    Biomacromolecules
    Vol. 12, num. 4, p. 1298-1304
    DOI: 10.1021/bm200022n
    Date of publication: 2011-04
    Journal article
  • Binding of a C-end rule peptide to the neuropilin-1 receptor: a molecular modeling approach

     Haspel; Zanuy, D.; Nussinov, R.; Teesalu, T.; Ruoslahti, E.; Aleman, C.
    Biochemistry
    Vol. 50, num. 10, p. 1755-1762
    DOI: 10.1021/bi101662j
    Date of publication: 2011-03-15
    Journal article
  • New hybrid biomaterial based on peptide-polyester: structure, properties and potential uses

     Revilla-López, G.; Zanuy, D.; Aleman, C.; Lopez, D.
    Hybrid Materials
    Presentation's date: 2011-03-08
    Presentation of work at congresses
  • A simulation strategy for the atomistic modeling of flexible molecules covalently tethered to rigid surfaces: application to peptides

     Curcó, D.; Zanuy, D.; Nussinov, R.; Aleman, C.
    Journal of computational chemistry
    Vol. 32, num. 4, p. 607-619
    DOI: 10.1002/jcc.21647
    Date of publication: 2011-03
    Journal article
  • A theoretical approach to the engineering of bioinspired systems: Design, applications & information management  Open access  awarded activity

     Revilla-López, G.
    Department of Chemical Engineering, Universitat Politècnica de Catalunya
    Theses
  • Atomistic modeling of peptides bound to a chemically active surface: Conformational implications

     Curcó, D.; Revilla-López, G.; Aleman, C.; Zanuy, D.
    Journal of peptide science
    Vol. 17, num. 2, p. 132-138
    DOI: 10.1002/psc.1321
    Date of publication: 2011-02
    Journal article
  • Binding of 6-mer single-stranded homo-nucleotides to poly(3,4-ethylenedioxythiophene): specific hydrogen bonds with guanine

     Teixeira-Dias, Bruno; Zanuy, D.; Poater, J.; Solà, M.; Estrany, F.; del Valle, LJ.; Aleman, C.
    Soft matter
    Vol. 7, num. 21, p. 9922-9932
    DOI: 10.1039/c1sm05856h
    Date of publication: 2011
    Journal article
  • Exploring the energy landscape of a molecular engineered analog of a tumor-homing peptide

     Revilla-López, G.; Torras, J.; Nussinov, R.; Aleman, C.; Zanuy, D.
    Physical chemistry chemical physics
    Vol. 13, num. 21, p. 9986-9994
    DOI: 10.1039/c0cp02572k
    Date of publication: 2011
    Journal article
  • Nanoparticle-induced vascular blockade in human prostate cancer

     Agemy, L.; Sugahara, K.; Kotamraju, V.; Gujraty, K.; Girard, O.; Kono, Y.; Mattrey, R.; Park,, J.; Sailor, M.; Jimenez, A.; Cativiela, C.; Zanuy, D.; Sayago, F.J.; Aleman, C.; Nussinov, R.; Ruoslahti, E.
    Blood
    Vol. 15, num. 116, p. 2847-2856
    DOI: 10.1182/blood-2010-03-274258
    Date of publication: 2010-09-14
    Journal article
  • Self-Assembly of a Designed Amyloid Peptide Containing the Functional Thienylalanine Unit

     Hamley, .; Brown, G.; Castelletto, V.; Cheng, G.; Venanzi, Mariano; Caruso, M.; Placidi, E.; Aleman, C.; Revilla-López, G.; Zanuy, D.
    Journal of physical chemistry B
    Vol. 114, num. 32, p. 10674-10683
    DOI: 10.1021/jp105508g
    Date of publication: 2010-08-19
    Journal article
  • Microscopic details of the sensing ability of 15-crown-5-ether functionalized poly(bithiophene)

     Casanovas Salas, Jordi; Rodriguez, F.; Zanuy, D.; Aleman, C.
    Polymer
    Vol. 51, num. 18, p. 4267-4272
    DOI: 10.1016/j.polymer.2010.06.062
    Date of publication: 2010-08-19
    Journal article
  • Modeling of peptides tethered to rigid surfaces

     Curcó, D.; Zanuy, D.; Aleman, C.
    European Material Research Society Meeting
    Presentation's date: 2010-06-07
    Presentation of work at congresses
  • Parameterization of the torsional potential for calix[4]arene-substituted poly(thiophene)s

     Preat, J.; Rodriguez, F.; Torras, J.; Bertran, O.; Zanuy, D.; Aleman, C.
    Journal of computational chemistry
    Vol. 31, num. 8, p. 1741-1751
    DOI: 10.1002/jcc.21463
    Date of publication: 2010-06
    Journal article
  • Influence of the doping level on the interactions between poly(3,4-ethylenedioxythiophene) and plasmid DNA

     Teixeira-Dias, Bruno; Zanuy, D.; del Valle, LJ.; Estrany, F.; Armelin, E.; Aleman, C.
    Macromolecular chemistry and physics
    Vol. 211, num. 10, p. 1117-1126
    DOI: 10.1002/macp.200900599
    Date of publication: 2010-05-17
    Journal article
  • NCAD, a database integrating the intrinsic conformational preferences of non-coded amino acids  Open access

     Revilla-López, G.; Torras, J.; Curcó, D.; Casanovas Salas, Jordi; Calaza, M.I.; Zanuy, D.; Jimenez, A.; Cativiela, C.; Nussinov, R.; Grodzinski, P.; Aleman, C.
    Journal of physical chemistry B
    Vol. 114, num. 21, p. 7413-7422
    DOI: 10.1021/jp102092m
    Date of publication: 2010-05-10
    Journal article
    Access to the full text
  • On the pi-stacking of oxidized thiophene oligomers

     Rodriguez, F.; Casanovas Salas, Jordi; Zanuy, D.; Aleman, C.
    Chemical physics letters
    Vol. 488, num. 4-6, p. 177-181
    DOI: 10.1016/j.cplett.2010.01.074
    Date of publication: 2010-03
    Journal article
  • Electronic characterization of all-thiophene conducting dendrimers: molecules and assemblies

     Rodriguez, F.; Zanuy, D.; Aleman, C.
    Polymer
    Vol. 51, num. 1, p. 308-315
    DOI: 10.1016/j.polymer.2009.11.007
    Date of publication: 2010-01
    Journal article
  • Conformational Profile of a Proline-Arginine Hybrid

     Revilla-López, G.; Jimenez, A.; Cativiela, C.; Nussinov, R.; Aleman, C.; Zanuy, D.
    Journal of chemical information and modeling
    Vol. 50, num. 10, p. 1781-1789
    DOI: 10.1021/ci100135f
    Date of publication: 2010
    Journal article
  • From Poly(3,4-ethylenedioxythiophene) to Poly(3,4-phenylenedioxythiophene): Impact of the Substitution of the Ethylene Bridge by the Phenyl Ring on the Molecular Properties

     Carrión, S.; Rodriguez, F.; Aradilla, D.; Zanuy, D.; Casanovas Salas, Jordi; Aleman, C.
    Journal of physical chemistry B
    Vol. 114, num. 10, p. 3494-3499
    DOI: 10.1021/jp9112574
    Date of publication: 2010
    Journal article
  • APLICACIONES DE LOS POLÍMEROS CONDUCTORES EN INGENIERÍA Y BIOTECNOLOGÍA

     Bertran, O.; Torras, J.; Estrany, F.; Armelin, E.; Iribarren, J.; Liesa, F.; Zanuy, D.; Revilla-López, G.; Canales, M.; Pérez-Madrigal, M.M.; Borras, N.; Cordova, E.; Aradilla, D.; Lopez, D.; Fabregat, G.; Aleman, C.
    Competitive project
  • Appication of molecular simulation techniques to the design of nanosystems  Open access  awarded activity

     Rodriguez, F.
    Department of Chemical Engineering, Universitat Politècnica de Catalunya
    Theses
  • In silico improvement of a tumor homing peptide using a conformationally restricted arginine analogue

     Revilla-López, G.; Zanuy, D.; Torras, J.; Nussinov, R.
    Peptide Engineering Meeting
    Presentation's date: 2009-10-26
    Presentation of work at congresses
  • INNOVACIO, MODELITZACIÓ I ENGINYERIA EN BIOMATERIALES (IMEM)

     Liesa, F.; Torras, J.; Bertran, O.; Estrany, F.; Zanuy, D.; Armelin, E.; Iribarren, J.; Revilla-López, G.; Fabregat, G.; Lopez, D.; Aradilla, D.; Cordova, E.; Pérez-Madrigal, M.M.; Borras, N.; Aleman, C.
    Competitive project
  • Study of specific interactions in complexes formed by polythiophene derivatives and plasmid DNA

     Teixeira-Dias, Bruno; del Valle, LJ.; Zanuy, D.; Estrany, F.; Armelin, E.; Aleman, C.
    Reunión del Grupo Especializado de Polímeros
    p. 151
    Presentation's date: 2009-09-20
    Presentation of work at congresses
  • Descripción microscópica de sensores basados en politiofenos funcionalizados con macrociclos complejos

     Aleman, C.; Casanovas Salas, Jordi; Preat, J.; Rodriguez, F.; Torras, J.; Zanuy, D.
    Reunión del Grupo Especializado de Polímeros
    p. 150
    Presentation's date: 2009-09-20
    Presentation of work at congresses
  • Modeling an Electronic Conductor Based on Natural Peptide Sequences

     Rodriguez, F.; Zanuy, D.; Assfeld, X.; Aleman, C.
    Biomacromolecules
    Vol. 10, num. 8, p. 2338-2343
    Date of publication: 2009-08
    Journal article
  • Modeling a nanowire based on natural peptide sequences

     Rodriguez, F.; Zanuy, D.; Assfeld, X.; Aleman, C.
    Theoretical Chemistry: Modeling Reactivity from Gas Phase to Biomolecules and Solids
    p. 77
    Presentation's date: 2009-06-29
    Presentation of work at congresses
  • Identification of specific interactions in complexes formed by DNA and conducting polymers

     Aleman, C.; Zanuy, D.; Preat, J.; Estrany, F.; Armelin, E.; Casanovas Salas, Jordi; del Valle, LJ.
    Theoretical Chemistry: Modeling Reactivity from Gas Phase to Biomolecules and Solids
    p. 3
    Presentation's date: 2009-06-29
    Presentation of work at congresses
  • Protein Segments with Conformationally Restricted Amino Acids Can Control Supramolecular Organization at the Nanoscale

     Zanuy, D.; Ballano, G.; Jimenez, A.; Casanovas Salas, Jordi; Haspel; Cativiela, C.; Curcó, D.; Nussinov, R.; Aleman, C.
    Journal of chemical information and modeling
    Vol. 49, num. 7, p. 1623-1629
    DOI: 10.1021/ci9001487
    Date of publication: 2009-06-23
    Journal article
  • Microscopic description of the sensing abilities of functionalized polythiophenes

     Preat, J.; Rodriguez, F.; Zanuy, D.; Torras, J.; Armelin, E.; Aleman, C.
    International Symposium Frontiers in Polymer Science
    Presentation's date: 2009-06-07
    Presentation of work at congresses
  • In Silico Molecular Engineering for a Targeted Replacement in a Tumor-Homing Peptide

     Zanuy, D.; Flores-Ortega, A.; Jimenez, A.; Calaza, M.; Cativiela, C.; Nussinov, R.; Ruoslahti, E.; Aleman, C.
    Journal of physical chemistry B
    Vol. 113, num. 22, p. 7879-7889
    Date of publication: 2009-06
    Journal article
  • Sensing Mechanism of Calix[4]arene-Substituted Poly(thiophene) Ion Receptor: Effects of the Selectivity on the Molecular Rigidity

     Rodriguez, F.; Preat, J.; Zanuy, D.; Torras, J.; Aleman, C.
    Journal of physical chemistry B
    Vol. 113, num. 24, p. 8284-8287
    Date of publication: 2009-06
    Journal article
  • A comprehensive study of the interactions between DNA and poly(3,4-ethylenedioxythiophene)

     Aleman, C.; Teixeira-Dias, Bruno; Zanuy, D.; Estrany, F.; Armelin, E.; del Valle, LJ.
    Polymer
    Vol. 50, num. 8, p. 1965-1974
    DOI: 10.1016/j.polymer.2009.02.033
    Date of publication: 2009-04-09
    Journal article