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Browsing by Author Cruz, Víctor L.

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closedAccessaccesoRestringido.pdf.jpg2008[1,2,3]Triazolo[1,5-a]pyridines. A theoretical (DFT) study of the ring-chain isomerizationBlanco, Fernando; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID; Cruz, Víctor L. CSIC ORCID; Abarca, B.; Ballesteros, R.artículo
closedAccessembargo.pdf.jpg11-Jun-20143D-QSAR as a Tool for Understanding and Improving Single-Site Polymerization Catalysts. A ReviewCruz, Víctor L. CSIC ORCID; Martínez, Sonia; Ramos, Javier CSIC ORCID ; Martínez-Salazar, Javier CSIC ORCIDartículo
openAccess3D-QSAR0001.pdf.jpg22-Nov-20093D-QSAR tools for the structure-activity analisys of single site polymerization catalystsCruz, Víctor L. CSIC ORCID; Ramos, Javier CSIC ORCID ; Martínez-Salazar, Javier CSIC ORCIDcomunicación de congreso
closedAccessaccesoRestringido.pdf.jpg2012A Curtin-Hammett mechanism for the copolymerization of ethylene and methyl acrylate monomer using a PymNox nickel catalyst as revealed by DFT computational studiesRamos, Javier CSIC ORCID ; Martínez, Sonia; Cruz, Víctor L. CSIC ORCID; Martínez-Salazar, Javier CSIC ORCIDartículo
openAccessDixitos0001.pdf.jpg2010Acceso simplificado a infraestructuras de cálculoCruz, Víctor L. CSIC ORCID; Ramos, Javier CSIC ORCID ; Vega, Juan Francisco CSIC ORCID; Martínez-Salazar, Javier CSIC ORCIDartículo
closedAccessaccesoRestringido.pdf.jpg24-Sep-2018Approaching short time dynamics of polymer solutions by passive microrheologyVega, Juan Francisco CSIC ORCID; Espasa Valdepeñas, A.; Cruz, Víctor L. CSIC ORCID; Ramos, F. J.; Muller, A.J.; Martínez-Salazar, Javier CSIC ORCIDcomunicación de congreso
closedAccessaccesoRestringido.pdf.jpg2013Bacteriocin AS-48 binding to model membranes and pore formation as revealed by coarse-grained simulationsCruz, Víctor L. CSIC ORCID; Ramos, Javier CSIC ORCID ; Melo, Manuel N.; Martínez-Salazar, Javier CSIC ORCIDartículo
closedAccessaccesoRestringido.pdf.jpg2014Computer simulations of the early stages of crystal nucleation of linear and short chain branched polyethylene on carbon nanotubesJerónimo, K.; Cruz, Víctor L. CSIC ORCID; Ramos, Javier CSIC ORCID ; Vega, Juan Francisco CSIC ORCID; Trujillo, Mariana; Müller, Alejandro J.; Martínez-Salazar, Javier CSIC ORCIDartículo
closedAccessaccesoRestringido.pdf.jpg26-Oct-2016Conformational analysis of short polar side-chain amino-acids through umbrella sampling and DFT calculationsRamos, Javier CSIC ORCID ; Cruz, Víctor L. CSIC ORCIDartículo
openAccess2013-Franco-JMolModel.pdf.jpg13-Mar-2013Conformational flexibility of the ErbB2 ectodomain and trastuzumab antibody complex as revealed by molecular dynamics and principal component analysisFranco-Gonzalez, Juan Felipe CSIC ORCID ; Ramos, Javier CSIC ORCID ; Cruz, Víctor L. CSIC ORCID; Martínez-Salazar, Javier CSIC ORCIDartículo
closedAccess25-Jan-2010Density functional study for the polymerization of ethylene monomer using a new nickel catalystRamos, Javier CSIC ORCID ; Cruz, Víctor L. CSIC ORCID; Martínez-Salazar, Javier CSIC ORCID; Brasse, Mikaël CSIC; Palma, Pilar CSIC ORCID; Cámpora, Juan CSIC ORCIDartículo
openAccessmolecules-18-03356.pdf.jpg14-Mar-2013Diosgenone synthesis, anti-malarial activity and QSAR of analogues of this natural productPabón, Adriana; Escobar, Gustavo; Vargas, Esteban; Cruz, Víctor L. CSIC ORCID; Notario, Rafael CSIC ORCID; Blair, Silvia; Echeverri, Fernándoartículo
closedAccessaccesoRestringido.pdf.jpg2011Dissimilar interaction of CB1/CB2 with lipid bilayers as revealed by molecular dynamics simulationRamos, Javier CSIC ORCID ; Cruz, Víctor L. CSIC ORCID; Martínez-Salazar, Javier CSIC ORCID; Campillo, Nuria E. CSIC ORCID ; Páez, Juan A. CSIC ORCIDartículo
openAccessPIIS0006349596794195.pdf.jpg1-Sep-1996Distribution and diffusivity of a hydrophobic probe molecule in the interior of a membrane: theory and simulationHuertas, M. L.; Cruz, Víctor L. CSIC ORCID; Cascales, J. J.; Acuña, A. Ulises CSIC; García de la Torre, Joséartículo
closedAccessaccesoRestringido.pdf.jpg2014Exploring the dynamics and interaction of a full ErbB2 receptor and Trastuzumab-Fab antibody in a lipid bilayer model using Martini coarse-grained force field.Franco-Gonzalez, Juan Felipe CSIC ORCID ; Ramos, Javier CSIC ORCID ; Cruz, Víctor L. CSIC ORCID; Martínez-Salazar, Javier CSIC ORCIDartículo
openAccessijms-20-01076-v2.pdf.jpg1-Mar-2019Hydrodynamic and Electrophoretic Properties of Trastuzumab/HER2 Extracellular Domain Complexes as Revealed by Experimental Techniques and Computational SimulationsRamos, Javier CSIC ORCID ; Vega, Juan Francisco CSIC ORCID; Cruz, Víctor L. CSIC ORCID; Sánchez-Sánchez, E.; Cortés, J.; Martínez-Salazar, Javier CSIC ORCIDartículo
openAccessVCruz0001.pdf.jpg2013Interaction between Trastuzumab and ErbB2 analyzed by molecular dynamics simulationCruz, Víctor L. CSIC ORCID; Franco-Gonzalez, Juan Felipe CSIC ORCID ; Ramos, Javier CSIC ORCID ; Martínez-Salazar, Javier CSIC ORCIDcomunicación de congreso
closedAccessManuscriptHER2d_BBA_R_240517_Final2.pdf.jpg19-Jun-2017Molecular and hydrodynamic properties of human epidermal growth factor receptor HER2 extracellular domain and its homodimer: Experiments and multi-scale simulationsVega, Juan Francisco CSIC ORCID; Ramos, Javier CSIC ORCID ; Cruz, Víctor L. CSIC ORCID; Vicente-Alique, E.; Sánchez-Sánchez, E.; Sánchez-Fernández, A.; Wang, Y.; Hu, P.; Cortés, J.; Martínez-Salazar, Javier CSIC ORCIDartículo
openAccessMultiscale.pdf.jpg16-Nov-2015Multiscale Simulation to Understand the Bactericidal Action of the AS-48 Antimicrobial Peptide DescriptionCruz, Víctor L. CSIC ORCID; Ramos, Javier CSIC ORCID ; Martínez-Salazar, Javier CSIC ORCIDpóster de congreso
closedAccess27-Aug-2008Nickel 2-Iminopyridine N-Oxide (PymNox) Complexes: Cationic Counterparts of Salicylaldiminate-Based Neutral Ethylene Polymerization CatalystsBrasse, Mikaël CSIC; Cámpora, Juan CSIC ORCID; Palma, Pilar CSIC ORCID; Álvarez, Eleuterio CSIC ORCID ; Cruz, Víctor L. CSIC ORCID; Ramos, Javier CSIC ORCID ; Reyes, Manuel L.artículo