2011-2007

  1. Assessment of the Intrinsic Conformational Preferences of Dipeptide Amino Acids in Aqueous Solution by Combined Umbrella Sampling/MBAR Statistics. A Comparison with Experimental Results
    VL Cruz, J Ramos, J Martinez-Salazar
    The Journal of Physical Chemistry B 116 (1), 469-475 (2011)
  2. Eliminating sharkskin distortion in polyethylene extrusion via a molecular route
    JF Vega, MT Expósito, J Otegui, J Martínez-Salazar
    Journal of Rheology (1978-present) 55 (4), 855-873 (2011)
  3. Size and conformational features of ErbB2 and ErbB3 receptors: a TEM and DLS comparative study
    E Vicente-Alique, R Núñez-Ramírez, JF Vega, P Hu, J Martínez-Salazar
    European Biophysics Journal 40 (7), 835-842 (2011)
  4. Flexible tethering of primase and DNA Pol α in the eukaryotic primosome
    R Núñez-Ramírez, S Klinge, L Sauguet, R Melero, MA Recuero-Checa, M Kilkenny, RL Perera, B García-Alvarez, RJ Hall, E Nogales, L Pellegrini, O Llorca
    Nucleic acids research, gkr534 (2011)
  5. Surface‐enhanced Raman spectra of dimethoate and omethoate
    L Guerrini, S Sanchez‐Cortes, VL Cruz, S Martinez, S Ristori, A Feis
    Journal of Raman Spectroscopy 42 (5), 980-985 (2011)
  6. Water-mediated conformations of the alanine dipeptide as revealed by distributed umbrella sampling simulations, quantum mechanics based calculations, and experimental data
    V Cruz, J Ramos, J Martínez-Salazar
    The Journal of Physical Chemistry B 115 (16), 4880-4886 (2011)
  7. Computer modeling of the crystallization process of single‐chain ethylene/1‐hexene copolymers from dilute solutions
    J Ramos, J Martínez‐Salazar
    Journal of Polymer Science Part B: Polymer Physics 49 (6), 421-430 (2011)
  8. Role of the interface in the melt‐rheology properties of linear low‐density polyethylene/low‐density polyethylene blends: Effect of the molecular architecture of the dispersed phase
    N Robledo, JF Vega, J Nieto, J Martínez‐Salazar
    Journal of Applied Polymer Science 119 (6), 3217-3226 (2011)
  9. Molecular architecture and linear viscoelasticity of homogeneous ethylene/styrene copolymers
    JF Vega, MT Expósito, J Martínez-Salazar, M Lobón-Poo, JO Barcina, A García Martínez, M López
    Rheologica acta 50 (3), 207-220 (2011)
  10. A three-phase microstructural model to explain the mechanical relaxations of branched polyethylene: a DSC, WAXD and DMTA combined study
    S Martín, JF Vega, MT Expósito, A Flores, J Martínez-Salazar
    Colloid and Polymer Science 289 (3), 257-268 (2011)
  11. Dissimilar interaction of CB1/CB2 with lipid bilayers as revealed by molecular dynamics simulation
    J Ramos, VL Cruz, J Martínez-Salazar, NE Campillo, JA Páez
    Physical Chemistry Chemical Physics 13 (9), 3660-3668 (2011)
  12. Una mirada a la Física de Polímeros en España
    J Martínez-Salazar, JF Vega
    Revista Española de Física 23 (4) (2011)
  13. Dynamic effects of cofactors and DNA on the oligomeric state of human mitochondrial DNA helicase
    TD Ziebarth, R Gonzalez-Soltero, MM Makowska-Grzyska, R Núñez-Ramírez, JM Carazo, LS Kaguni
    Journal of Biological Chemistry 285 (19), 14639-14647 (2010)
  14. The antibacterial cell division inhibitor PC190723 is an FtsZ polymer-stabilizing agent that induces filament assembly and condensation
    JM Andreu, C Schaffner-Barbero, S Huecas, D Alonso, ML Lopez-Rodriguez, LB Ruiz-Avila, R Núñez-Ramírez, O Llorca, AJ Martín-Galiano
    Journal of Biological Chemistry 285 (19), 14239-14246 (2010)
  15. Conformational rearrangements of SV40 large T antigen during early replication events
    I Cuesta, R Núñez-Ramírez, SHW Scheres, D Gai, XS Chen, E Fanning, JM Carazo
    Journal of molecular biology 397 (5), 1276-1286 (2010)
  16. Density functional study for the polymerization of ethylene monomer using a new nickel catalyst
    J Ramos, VL Cruz, J Martínez‐Salazar, M Brasse, P Palma, J Campora
    Journal of Polymer Science Part A: Polymer Chemistry 48 (5), 1160-1165 (2010)
  17. Acceso simplificado a infraestructuras de cálculo
    VL Cruz, J Ramos, JF Vega, J Martínez Salazar
    Centro de Supercomputación de Galicia (2010)
  18. Material Sciences
    E Androulaki, N Vergadou, J Ramos
    (2010)
  19. Flow-induced crystallization regimes and rheology of isotactic polypropylene
    JF Vega, DG Hristova, GWM Peters
    Journal of thermal analysis and calorimetry 98 (3), 655-666 (2009)
  20. Theoretical study on a multicenter model based on different metal oxidation states for the bis (imino) pyridine iron catalysts in ethylene polymerization
    VL Cruz, J Ramos, J Martínez-Salazar, S Gutiérrez-Oliva, A Toro-Labbé
    Organometallics 28 (20), 5889-5895 (2009)
  21. Rheology, processing, tensile properties, and crystallization of polyethylene/carbon nanotube nanocomposites
    JF Vega, J Martinez-Salazar, M Trujillo, ML Arnal, AJ Muller, St Bredeau, Ph Dubois
    Macromolecules 42 (13), 4719-4727 (2009)
  22. Molecular modeling of imidazolium-based [Tf2N−] ionic liquids: microscopic structure, thermodynamic and dynamic properties, and segmental dynamics
    GE Logotheti, J Ramos, IG Economou
    The Journal of Physical Chemistry B 113 (20), 7211-7224 (2009)
  23. [1, 2, 3] Triazolo [1, 5-a] pyridines. A theoretical (DFT) study of the ring–chain isomerization
    F Blanco, I Alkorta, J Elguero, VL Cruz, B Abarca, R Ballesteros
    Tetrahedron 64 (49), 11150-11158 (2008)
  24. Nickel 2-iminopyridine N-oxide (PymNox) complexes: Cationic counterparts of salicylaldiminate-based neutral ethylene polymerization catalysts
    M Brasse, J Cámpora, P Palma, E Álvarez, VL Cruz, J Ramos, ML Reyes
    Organometallics 27 (18), 4711-4723 (2008)
  25. Highly active ethylene/hydroxyl comonomers copolymerization using metallocene catalysts
    MT Exposito, JF Vega, J Ramos, J Osío‐Barcina, A García‐Martínez, C Martin, J Martínez‐Salazar
    Journal of applied polymer science 109 (3), 1529-1534 (2008)
  26. Entanglement network and relaxation temperature dependence of single‐site catalyzed ethylene/1‐hexene copolymers
    JF Vega, S Martín, MT Expósito, J Martínez‐Salazar
    Journal of applied polymer science 109 (3), 1564-1569 (2008)
  27. Multi-scale modeling of structure, dynamic and thermodynamic properties of imidazolium-based ionic liquids: ab initio DFT calculations, molecular simulation and equation of state predictions
    IG Economou, EK Karakatsani, GE Logotheti, J Ramos, AA Vanin
    Oil & Gas Science and Technology-Revue de l’IFP 63 (3), 283-293 (2008)
  28. On the nature of the active site in bis (imino) pyridyl iron, a catalyst for olefin polymerization
    J Martínez, VL Cruz, J Ramos, S Gutierrez-Oliva, J Martínez-Salazar, A Toro-Labbe
    The Journal of Physical Chemistry C 112 (13), 5023-5028 (2008)
  29. Entanglement relaxation time in polyethylene: simulation versus experimental data
    J Ramos, JF Vega, DN Theodorou, J Martinez-Salazar
    Macromolecules 41 (8), 2959-2962 (2008)
  30. Isolobal Zwitterionic Niobium and Tantalum Imido and Zirconium Monocyclopentadienyl Complexes: Theoretical and Methyl Methacrylate Polymerization Studies
    R Arteaga-Müller, J Sánchez-Nieves, J Ramos, P Royo, MEG Mosquera
    Organometallics 27 (7), 1417-1426 (2008)
  31. Viscoelasticity and macromolecular topology in single-site catalyzed polyethylene
    JF Vega, D Polo-Cerón, S Gómez-Ruíz, S Prashar, M Fajardo, J Martínez-Salazar
    Journal of Materials Science 43 (5), 1745-1748 (2008)
  32. Structure and physical properties of polyethylenes obtained from dual catalysis process
    JF Vega, J Otegui, MT Expósito, M López, C Martín, J Martínez-Salazar
    Polymer Bulletin 60 (2-3), 331-342 (2008)
  33. Synthesis, characterization and catalytic behaviour of ansa-zirconocene complexes containing tetraphenylcyclopentadienyl rings: X-ray crystal structures of [Zr {Me2Si (η5-C5Ph4)(η5-C5H3R)} Cl2](R= H, But)
    S Gómez-Ruiz, D Polo-Cerón, S Prashar, M Fajardo, VL Cruz, J Ramos, E Hey-Hawkins
    Journal of Organometallic Chemistry 693 (4), 601-610 (2008)
  34. Three-dimensional modelling of flow curves in co-rotating twin-screw extruder elements
    MA Barrera, JF Vega, J Martinez-Salazar
    Journal of Materials Processing Technology 197 (1), 221-224 (2008)
  35. Ab Initio Calculations and Molecular Dynamics Simulations for Imidazolium–[Tf2N] Ionic Liquids: Microscopic Structure and Thermodynamic Properties
    IG Economou, GE Logotheti, J Ramos, A Vanin
    The 2008 Annual Meeting (2008)
  36. Monte Carlo simulation of short chain branched polyolefins in the molten state
    J Ramos, LD Peristeras, DN Theodorou
    Macromolecules 40 (26), 9640-9650 (2007)
  37. QSAR model for ethylene polymerisation catalysed by supported bis (imino) pyridine iron complexes
    VL Cruz, J Martinez, J Martinez-Salazar, J Ramos, ML Reyes, A Toro-Labbe, S Gutierrez-Oliva
    Polymer 48 (26), 7672-7678 (2007)
  38. Mechanistic Aspects of Dinitrogen Hydrogenation Catalyzed by the Geometry-Constrained Zirconium and Titanium Complexes: Computational Studies
    S Martinez, K Morokuma, DG Musaev
    Organometallics 26 (24), 5978-5986 (2007)
  39. Molecular structure and properties of ethylene‐co‐styrene polymers obtained from [norbornane‐7,7‐bis (1‐indenyl)] titanium dichloride catalyst system
    MT Expósito, JF Vega, J Martínez‐Salazar
    Journal of applied polymer science 106 (2), 1421-1430 (2007)
  40. 3D-QSAR study of ansa-metallocene catalytic behavior in ethylene polymerization
    VL Cruz, S Martinez, J Martinez-Salazar, D Polo-Ceron, S Gomez-Ruiz, M Fajardo, S Prashar
    Polymer 48 (16), 4663-4674 (2007)
  41. The unit cell expansion of branched polyethylene as detected by Raman spectroscopy: an experimental and simulation approach
    J Otegui, JF Vega, S Martín, VL Cruz, A Flores, C Domingo, J Martínez-Salazar
    Journal of materials science 42 (3), 1046-1049 (2007)
  42. Proposed polymerization termination mechanism for 3-R-indenyl ansa-zirconocenes (R= n-alkyl) based on DFT calculations and experimental observations
    VL Cruz, S Martínez, J Martínez-Salazar, J Sancho
    Macromolecules 40 (20), 7413-7415 (2007)