2016-2012

  1. Biosignatures and microbial fossils in endolithic microbial communities colonizing Ca-sulfate crusts in the Atacama Desert
    B Cámara, V Souza-Egipsy, C Ascaso, O Artieda, A De Los Ríos, J Wierzchos
    Chemical Geology 443, 22-31 (2016)
  2. Structure and temporal dynamics of the bacterial communities associated to microhabitats of the coral Oculina patagonica
    E Rubio‐Portillo, F Santos, M Martínez‐García, A de los Ríos, C Ascaso, V Souza‐Egipsy, AA Ramos‐Esplá, J Anton
    Environmental Microbiology 18(12), 4564-4578 (2016)
  3. Conformational analysis of short polar side-chain amino-acids through umbrella sampling and DFT calculations
    J Ramos, VL Cruz
    Journal of Molecular Modeling 22 (11), 273 (2016)
  4. Coarse-grained simulations on the crystallization, melting and annealing processes of short chain branched polyolefins
    J Ramos, JF Vega, S Sanmartín, J Martínez-Salazar
    European Polymer Journal (2016)
  5. Mapping the Mechanical Properties of Poly (3-hydroxybutyrate-co-3-hydroxyvalerate) Banded Spherulites by Nanoindentation
    P Enrique-Jimenez, JF Vega, J Martínez-Salazar, F Ania, A Flores
    Polymers 8 (10), 358 (2016)
  6. New habits in branched polyethylene single crystals
    JF Vega, AJ Müller, J Martínez-Salazar
    European Polymer Journal 80, 169-174 (2016)
  7. Evidences of Changes in Surface Electrostatic Charge Distribution during Stabilization of HPV16 Virus-Like Particles
    JF Vega, E Vicente-Alique, R Núñez-Ramírez, Y Wang, J Martínez-Salazar
    PloS one 11 (2), e0149009 (2016)
  8. A new insight into the conformation and melt dynamics of hydrogenated polybutadiene as revealed by computer simulations
    J Ramos, JF Vega, J Martínez-Salazar
    Soft matter 12 (17), 3929-3936 (2016)
  9. The influence of short‐chain branching on the morphology and structure of polyethylene single crystals
    JF Vega, N Jargour, R Núñez‐Ramírez, G Liu, D Wang, M Trujillo, AJ Müller, J Martínez‐Salazar
    Journal of Polymer Science Part B: Polymer Physics 53 (24), 1751-1762 (2015)
  10. Monte Carlo simulations of structure and entanglements in polymer melts
    K Moorthi, K Kamio, J Ramos, DN Theodorou
    Molecular Simulation 41 (10-12), 993-995 (2015)
  11. Molecular Dynamics Simulations for the Description of Experimental Molecular Conformation, Melt Dynamics, and Phase Transitions in Polyethylene
    J Ramos, JF Vega, J Martínez-Salazar
    Macromolecules 48 (14), 5016-5027 (2015)
  12. Study of the effect of the molecular architecture of the components on the melt rheological properties of polyethylene blends
    E Vicente-Alique, JF Vega, N Robledo, J Nieto, J Martínez-Salazar
    Journal of Polymer Research 22 (4), 1-11 (2015)
  13. Exploring the dynamics and interaction of a full ErbB2 receptor and Trastuzumab-Fab antibody in a lipid bilayer model using Martini coarse-grained force field
    JF Franco-González, J Ramos, VL Cruz, J Martínez-Salazar
    Journal of Computer-Aided Molecular Design, 28 (11), 1093-1107 (2014)
  14. Influence of Chain Branching and Molecular Weight on Melt Rheology and Crystallization of Polyethylene/Carbon Nanotube Nanocomposites
    JF Vega, Y da Silva, E Vicente-Alique, R Núñez-Ramírez, M Trujillo, P Dubois, J Martínez-Salazar, AJ Müller
    Macromolecules 47 (16), 5668-5681 (2014)
  15. Computer simulations of the early stages of crystal nucleation of linear and short chain branched polyethylene on carbon nanotubes
    K Jerónimo, VL Cruz, J Ramos, JF Vega, M Trujillo, AJ Müller, J Martínez-Salazar
    European Polymer Journal 56, 194-204 (2014)
  16. Monte carlo simulations structure and entanglements in polymer melts
    K Moorthi, K Kamio, J Ramos, DN Theodorou
    Molecular Simulation, DOI: 10.1080/08927022.2014.931583, 1-3 (2014)
  17. 3D-QSAR as a Tool for Understanding and Improving Single-Site Polymerization Catalysts. A Review
    VL Cruz, S Martínez, J Ramos, J Martínez-Salazar
    Organometallics 33 (12), 2944-2959 (2014)
  18. Iterative Elastic 3D-to-2D Alignment Method Using Normal Modes for Studying Structural Dynamics of Large Macromolecular Complexes
    Q Jin, COS Sorzano, JM de la Rosa-Trevín, JR Bilbao-Castro, R Núñez-Ramírez, O Llorca, F Tama, S Jonic
    Structure 22 (3), 496-506 (2014)
  19. Strong influence of branching on the early stage of nucleation and crystal formation of fast cooled ultralong n-alkanes as revealed by computer simulations
    S Sanmartín, J Ramos, JF Vega, J Martínez-Salazar
    European Polymer Journal 50, 190-199 (2014)
  20. Protein-Protein and Protein-Membrane Interactions Regarding the Erbb2/Trastuzumab-Fab Complexes. A Coarse-Grained Molecular Dynamics Description
    JF Franco-González, V Cruz, J Ramos, J Martínez-Salazar
    Biophysical Journal 106 (2), 666a-667a (2014)
  21. Effect of short chain branching in molecular dimensions and Newtonian viscosity of ethylene/1-hexene copolymers: matching conformational and rheological experimental properties and atomistic simulations
    JF Vega, J Ramos, J Martínez-Salazar
    Rheologica Acta 53 (1), 1-13 (2014)
  22. Bacteriocin AS-48 binding to model membranes and pore formation as revealed by coarse-grained simulations
    VL Cruz, J Ramos, MN Melo, J Martínez-Salazar
    Biochimica et Biophysica Acta (BBA)-Biomembranes 1828 (11), 2524-2531 (2013)
  23. Effect of high molar mass species on linear viscoelastic properties of polyethylene melts
    J Otegui, J Ramos, JF Vega, J Martínez-Salazar
    European Polymer Journal 49 (9), 2748-2758 (2013)
  24. Thermophysical Properties of the Ionic Liquids [EMIM][B(CN)4] and [HMIM][B(CN)4]
    TM Koller, MH Rausch, J Ramos, PS Schulz, P Wasserscheid, IG Economou, AP Froba
    The Journal of Physical Chemistry B 117 (28), 8512-8523 (2013)
  25. Microstructure and properties of branched polyethylene: Application of a three‐phase structural model
    S Martín, MT Expósito, JF Vega, J Martínez‐Salazar
    Journal of Applied Polymer Science 128 (3), 1871-1878 (2013)
  26. Diosgenone Synthesis, Anti-Malarial Activity and QSAR of Analogues of This Natural Product
    A Pabón, G Escobar, E Vargas, V Cruz, R Notario, S Blair, F Echeverri
    Molecules 18 (3), 3356-3378 (2013)
  27. Conformational flexibility of the ErbB2 ectodomain and trastuzumab antibody complex as revealed by molecular dynamics and principal component analysis
    JF Franco-González, VL Cruz, J Ramos, J Martínez-Salazar
    Journal of Molecular Modeling 19 (3), 1227-1236 (2013)
  28. Structure and entanglements in short chain branched polyolefin melts
    K Moorthi, K Kamio, J Ramos, DN Theodorou
    4th International Symposium on Slow Dynamics in Complex Systems 1518 (1), 455-458 (2013)
  29. Simulation of homology models for the extracellular domains of ErbB3, ErbB4 and the ErbB2–ErbB3 complex in their active conformations
    JF Franco-Gonzalez, J Ramos, VL Cruz, J Martínez-Salazar
    Journal of Molecular Modeling 19 (2), 931-941 (2013)
  30. Structural Insights on the Plant Salt-Overly-Sensitive 1 (SOS1) Na+/H+ Antiporter
    R Núñez-Ramírez, MJ Sánchez-Barrena, I Villalta, JF Vega, JM Pardo, FJ Quintero, J Martínez-Salazar, A Albert
    Journal of Molecular Biology 424 (5), 283-294 (2012). Cover Picture
  31. Monte Carlo simulation of short chain branched polyolefins: structure and properties
    K Moorthi, K Kamio, J Ramos, DN Theodorou
    Macromolecules 45 (20), 8453-8466 (2012)
  32. Merging on-demand HPC resources from Amazon EC2 with the grid: a case study of a Xmipp application
    A Lorca, J Martín-Caro, R Núnez-Ramírez, J Martínez-Salazar
    Computing and Informatics 31 (1), 17-30 (2012)
  33. Structure, thermodynamic and transport properties of imidazolium-based bis trifluoromethylsulfonyl imide ionic liquids from molecular dynamics simulations
    E Androulaki, N Vergadou, J Ramos, IG Economou
    Molecular Physics 110 (11-12), 1139-1152 (2012)
  34. Development of a united-atom force field for 1-ethyl-3-methylimidazolium tetracyanoborate ionic liquid
    T Koller, J Ramos, NM Garrido, AP Fröba, IG Economou
    Molecular Physics 110 (11-12), 1115-1126 (2012)
  35. Polymerization Activity Prediction of Zirconocene Single-Site Catalysts Using 3D Quantitative Structure–Activity Relationship Modeling
    S Martínez, VL Cruz, J Ramos, J Martínez-Salazar
    Organometallics 31 (5), 1673-1679 (2012)
  36. A Curtin–Hammett mechanism for the copolymerization of ethylene and methyl acrylate monomer using a PymNox nickel catalyst as revealed by DFT computational studies
    J Ramos, S Martínez, VL Cruz, J Martínez-Salazar
    Journal of Molecular Modeling 18 (2), 515-523 (2012)
  37. Following the crystallization process of polyethylene single chain by molecular dynamics: the role of lateral chain defects
    S Sanmartín, J Ramos, J Martínez‐Salazar
    Macromolecular Symposia 312 (1), 97-107 (2012)
  38. Assessment of entanglement features and dynamics from atomistic simulations and experiments in linear and short chain branched polyolefins
    J Ramos, JF Vega, J Martínez-Salazar
    Soft Matter 8 (23), 6256-6263 (2012)
  39. Effect of molecular weight distribution on Newtonian viscosity of linear polyethylene
    JF Vega, J Otegui, J Ramos, J Martínez-Salazar
    Rheologica acta 51 (1), 81-87 (2012)