| Vista preliminar | Data | Títol | Autor(s) |
| 24-feb-2013 | Journal of Structural Biology | Zanuy Gomara, David; Kotla, Rohith; Nussinov, Ruth; Teesalu, Tambet; Sugahara, Kazuki N.; Alemán Llansó, Carlos; Haspel, Nurit |
| set-2012 | Stochastic simulation of structural properties of natively unfolded and denatured proteins | Curcó Cantarell, David; Michaux, Catherine; Roussel, Guillaume; Tinti, Emmanuel; Perpete, Eric A.; Alemán Llansó, Carlos |
| 28-jul-2012 | Properties of poly(3-halidethiophene)s | Casanovas, Jordi; Aradilla Zapata, David; Poater, Jordi; Solà, Miquel; Estrany Coda, Francesc; Alemán Llansó, Carlos |
| jul-2012 | Phosphonic acid/silica-based films: A potential treatment for corrosion protection | Dalmoro, V.; dos Santos, João Henrique Zimnoch; Armelín Diggroc, Elaine Aparecida; Alemán Llansó, Carlos; Azambuja, Denise S. |
| 19-jun-2012 | Reviewing Extrapolation Procedures of the Electronic Properties on the p-Conjugated Polymer Limit | Torras Costa, Juan; Casanovas, Jordi; Alemán Llansó, Carlos |
| 14-jun-2012 | Hybrid polythiophene-clay exfoliated nanocomposites for ultracapacitor devices | Aradilla Zapata, David; Azambuja, Denise S.; Estrany Coda, Francesc; Casas Becerra, María Teresa; Ferreira, Carlos A.; Alemán Llansó, Carlos |
| 30-abr-2012 | Ultraporous poly(3,4-ethylenedioxythiophene) for nanometric electrochemical supercapacitor | Aradilla Zapata, David; Estrany Coda, Francesc; Armelín Diggroc, Elaine Aparecida; Alemán Llansó, Carlos |
| 26-abr-2012 | Controlling the morphology of poly(N -cyanoethylpyrrole) | Fabregat Jové, Georgina; Alemán Llansó, Carlos; Casas Becerra, María Teresa; Armelín Diggroc, Elaine Aparecida |
 | 19-abr-2012 | Response of crown ether functionalized polythiophenes to alkaline ions | Zanuy Gomara, David; Preat, Julien; Perpete, Eric A.; Alemán Llansó, Carlos |
| 10-abr-2012 | Properties of oligothiophene dendrimers as a function of molecular architecture and generation number | Córdova Mateo, Esther; Rodríguez Ropero, Francisco; Bertran Cànovas, Òscar; Alemán Llansó, Carlos |
| abr-2012 | Evaluation of an environmentally friendly anticorrosive pigment for alkyd primer | Martí Barroso, Mireia; Fabregat Jové, Georgina; Azambuja, Denise S.; Alemán Llansó, Carlos; Armelín Diggroc, Elaine Aparecida |
| 1-mar-2012 | Effects of ring contraction on the conformational preferences of a-substituted proline analogs | Revilla López, Guillermo; Warren, Javier G.; Torras Costa, Juan; Jiménez, Ana I.; Cativiela, Carlos; Alemán Llansó, Carlos |
| 1-mar-2012 | Thermodynamic and stereochemical aspects of the polymerizability of glycolide and lactide | Alemán Llansó, Carlos; Bertran Cànovas, Òscar; Houk, K.N.; Padias, Anne Buyle; Hall, H.K. |
 | 14-feb-2012 | On the modeling of aggregates of an optically active regioregular polythiophene | Torras Costa, Juan; Sanchez Navas, Cristina; Bertran Cànovas, Òscar; Alemán Llansó, Carlos |
| 2012 | Water absorbed by polyaniline emeraldine tends to organize, forming nanodrops | Casanovas, Jordi; Canales Gabriel, Manel; Fabregat Jové, Georgina; Meneguzzi, Álvaro; Alemán Llansó, Carlos |
| 4-nov-2011 | Electronic properties of poly(thiophene-3-methyl acetate) | Gomes, Alex; Casanovas, Jordi; Bertran Cànovas, Òscar; Campos, Joao Sinezio de C.; Armelín Diggroc, Elaine Aparecida; Alemán Llansó, Carlos |
| 20-oct-2011 | Self-assembly of Fmoc-tetrapeptides based on the RGDS cell adhesion motif | Alemán Llansó, Carlos; Castelletto, V.; Moulton, C.M.; Cheng, G.; Hamley, I. W.; Hicks, Mathew R.; Rodger, Alison; López Pérez, David Orencio; Revilla López, Guillermo |
| 15-set-2011 | A computational study of Neuromedin B | Sharma, Parul; Singh, Parvesh; Bisetty, Krishna; Pérez González, Juan Jesús |
| 21-jul-2011 | 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 |
| 30-jun-2011 | Microstructures of poly(N-methylpyrrole) and their interaction with morphine | Cruz Teixeira Dias, Bruno José da; Alemán Llansó, Carlos; Estrany Coda, Francesc; Azambuja, Denise S.; Armelín Diggroc, Elaine Aparecida |
| 1-jun-2011 | Avances tecnológicos en la detección de neurotransmisores | Bertran Cànovas, Òscar; Fabregat Jové, Georgina; Córdova Mateo, Esther; Armelín Diggroc, Elaine Aparecida; Alemán Llansó, Carlos |
 | jun-2011 | Rational design of new class of BH3-mimetics as inhibitors of the Bcl-X(L) protein | Pinto Manresa, Marta; Orzaez, Maria del Mar; Delgado-Soler, L.; Pérez González, Juan Jesús; Rubio Martinez, Jaime |
| mai-2011 | Alterations in the photoactivation pathway of rhodopsin mutants associated with retinitis pigmentosa | Bosch Presegué, Laia; Ramon Portés, Eva; Toledo, Darwin; Cordomí Montoya, Arnau; Garriga Solé, Pere |
| 31-mar-2011 | Structural and Electronic Properties of Poly[N-(2-cyanoalkyl)pyrrole]s Bearing Small Alkyl Groups | Aradilla Zapata, David; Torras Costa, Juan; Alemán Llansó, Carlos |
| 15-mar-2011 | Binding of a C-end rule peptide to the neuropilin-1 receptor: a molecular modeling approach | Haspel, Nurit; Zanuy Gomara, David; Nussinov, Ruth; Teesalu, Tambet; Ruoslahti, Erkki; Alemán Llansó, Carlos |
| mar-2011 | A simulation strategy for the atomistic modeling of flexible molecules covalently tethered to rigid surfaces: application to peptides | Curcó, David; Zanuy Gomara, David; Nussinov, Ruth; Alemán Llansó, Carlos |
| 10-feb-2011 | Key building block of photoresponsive biomimetic systems | Revilla López, Guillermo; Laurent,, Adele D.; Perpete, Eric A.; Jacquemin, Denis; Torras Costa, Juan; Assfeld, Xavier; Alemán Llansó, Carlos |
| feb-2011 | Peptide-based materials: from nanostructures to applications | Bianco, Alberto; Venanzi, M.; Alemán Llansó, Carlos |
 | 6-des-2010 | Field-Induced Transport in Sulfonated Poly(styrene-co-divinylbenzene) Membranes | Bertran Cànovas, Òscar; Curcó, David; Torras Costa, Juan; Ferreira, Carlos A.; Alemán Llansó, Carlos |
| 15-nov-2010 | Incorporation of deMon2k as a new parallel quantum mechanical code for the PUPIL system | Bertran Cànovas, Òscar; Trickey, Samuel; Torras Costa, Juan |
 | 30-set-2010 | Transport of Metallic Ions through Polyaniline-containing composite membranes | Ferreira, Carlos; Casanovas, Jordi; Rodrigues, Marco A. S.; Muller, Francielli; Armelín Diggroc, Elaine Aparecida; Alemán Llansó, Carlos |
| 16-set-2010 | Conformational preferences of proline analogues with a fused benzene ring | Warren, Javier G.; Revilla López, Guillermo; Alemán Llansó, Carlos; Jimenez Sanz, Ana Isabel; Cativiela, Carlos; Torras Costa, Juan |
| set-2010 | Partial replacement of metallic zinc dust in heavy duty protective coatings by conducting polymer | Armelín Diggroc, Elaine Aparecida; Martí Barroso, Mireia; Liesa Mestres, Francisco; Iribarren Laco, José Ignacio; Alemán Llansó, Carlos |
| 19-ago-2010 | 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 |
| 5-ago-2010 | Modeling of amorphous polyaniline emeraldine base | Canales Gabriel, Manel; Curcó, David; Alemán Llansó, Carlos |
| 4-ago-2010 | Relaxation of amorphous multichain polymer systems using inverse kinematics | Cortés, Juan; Carrión Fajardo, Sergio; Curcó, David; Renaud, M; Alemán Llansó, Carlos |
| 2-ago-2010 | Characterization and Properties of Poly[N-(2-cyanoethyl)pyrrole] | Aradilla Zapata, David; Estrany Coda, Francesc; Armelín Diggroc, Elaine Aparecida; Oliver, R.; Iribarren Laco, José Ignacio; Alemán Llansó, Carlos |
| 3-jun-2010 | Modeling the Structural and Electronic Properties of an Optically Active Regioregular Polythiophene | Bertran Cànovas, Òscar; Torras Costa, Juan; Alemán Llansó, Carlos |
| jun-2010 | 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 |
| 17-mai-2010 | Influence of the doping level on the interactions between poly(3,4-ethylenedioxythiophene) and plasmid DNA | Zanuy Gomara, David; Valle Mendoza, Luis Javier del; Estrany Coda, Francesc; Armelín Diggroc, Elaine Aparecida; Alemán Llansó, Carlos; Teixeira-Dias, Bruno José Da Cruz |
 | 10-mai-2010 | 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 |
| 22-abr-2010 | Poly(2-thiophene-3-yl-malonic acid), a Polythiophene with Two Carboxylic Acids Per Repeating Unit | Bertran Cànovas, Òscar; Armelín Diggroc, Elaine Aparecida; Estrany Coda, Francesc; Gomes, Alex; Torras Costa, Juan; Alemán Llansó, Carlos |
| 17-feb-2010 | 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 |
| gen-2010 | Electronic characterization of all-thiophene conducting dendrimers: molecules and assemblies | Rodríguez Ropero, Francisco; Zanuy Gomara, David; Alemán Llansó, Carlos |
| gen-2010 | Examining the planarity of poly(3,4-ethylenedioxythiophene): consideration of self-rigidification, electronic, and geometric effects | Poater, Jordi; Casanovas, Jordi; Solà, Miquel; Alemán Llansó, Carlos |
| 26-oct-2009 | Structural and electronic properties of poly(thiaheterohelicene)s | Torras Costa, Juan; Bertran Cànovas, Òscar; Alemán Llansó, Carlos |
| oct-2009 | Conformational Preferences of 1-Amino-2-phenylcyclohexanecarboxylic Acid, a Phenylalanine Cyclohexane Analogue | Alemán Llansó, Carlos; Jimenez, Ana I; Cativiela, Carlos; Nussinov, Ruth; Casanovas, Jordi |
| 27-mai-2009 | Characterization and properties of a polythiophene with a malonic acid dimethyl ester side group | Armelín Diggroc, Elaine Aparecida; Bertran Cànovas, Òscar; Estrany Coda, Francesc; Salvatella, Roser; Alemán Llansó, Carlos |
| feb-2009 | Structural characterization of a zinc high-affinity binding site in rhodopsin | Darwin, Toledo; Cordomí Montoya, Arnau; Proietti, Maria Grazia; Maurizio, Benfatto; Valle Mendoza, Luis Javier del; Pérez González, Juan Jesús; Garriga Solé, Pere; Sepulcre Sánchez, Francesc |
| 2009 | 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 | A first principle analysis of the structure of oligoanilines doped with alkylsulfonic acids | Casanovas, Jordi; Canales Gabriel, Manel; Ferreira, Carlos; Alemán Llansó, Carlos |
 | 2007 | Complete maps of molecular-loop conformational spaces | Porta Pleite, Josep Maria; Ros Giralt, Lluís; Thomas, Federico; Corcho Sánchez, Francisco José; Cantó Silva, Josep; Pérez, Juan J. |
| 25-jul-2006 | Software integration in multi-scale simulations: the PUPIL system | Torras Costa, Juan; Deumens, Erik; Trickey, Samuel |
| 20-feb-2001 | Chemisorption of molecular oxygen on Cu(1 0 0): a Hartree¿Fock and density functional study | Torras Costa, Juan; Lacaze-Dufaure, C.; Russo, Beniamino; Ricart Pla, Josep Manel |
| 23-mai-1997 | Density functional study of atomic nitrogen and oxygen chemisorption on model clusters simulating the Cu and Ag ( 100) surfaces | Torras Costa, Juan; Toscano, M; Ricart Pla, Josep Manel; Russo, Beniamino |
| 10-mar-1997 | Ab initio cluster model study of geometry and bonding character of atomic nitrogen chemisorbed on the Cu(100) and Ag(100) surfaces | Ricart Pla, Josep Manel; Torras Costa, Juan; Rubio, Jaime; Illas, Francesc |
| 2-feb-1997 | Cluster model study of the chemisorption of atomic carbon on Si(100) surfaces | Torras Costa, Juan; Ricart Pla, Josep Manel; Vilarrubias, Pere; Fraxedas, J. |
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