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DerechosPreviewFecha Public.TítuloAutor(es)Tipo
closedAccessaccesoRestringido.pdf.jpg2016Early growth response 1 (EGR-1) is a transcriptional regulator of mitochondrial carrier homolog 1 (MTCH 1)/presenilin 1-associated protein (PSAP)Nelo Bazán, María Alejandra; Latorre, P.; Bolado-Carrancio, A.; Pérez-Campo, Flor Maria; Echenique, Pablo CSIC ORCID; Rodríguez-Rey, J.C.; Carrodeguas, José A. CSIC ORCIDartículo
openAccessmolecular_simulation.pdf.jpg13-dic-2011Editorial - Constraints: From physical principles to molecular simulations and beyondCiccotti, G.; Echenique, Pablo CSIC ORCIDeditorial
openAccess2006_BIFIProceedingsConstraints.pdf.jpg2006Effects of constraints in general branched molecules: A quantitative ab initio study in HCO-L-Ala-NH2Echenique, Pablo CSIC ORCID; Alonso, José Luis CSIC ORCID; Calvo, Iváncomunicación de congreso
openAccessEfficient Formalism for.pdf.jpg2008Efficient formalism for large-scale Ab initio molecular dynamics based on time-dependent density functional theoryAlonso, José Luis CSIC ORCID; Andrade, Xavier; Echenique, Pablo CSIC ORCID; Falceto, Fernando; Prada-Gracia, D.; Rubio, Angel CSIC ORCIDartículo
openAccess2008_ModelChemistriesRHFMP2.pdf.jpg15-jul-2008Efficient model chemistries for peptides. I. General framework and a study of the heterolevel approximation in RHF and MP2 with Pople split-valence basis setsEchenique, Pablo CSIC ORCID; Alonso, José Luis CSIC ORCIDpreprint
openAccess2009_ModelChemistriesB3LYP.pdf.jpg1-ene-2009Efficient model chemistries for peptides. II. Basis set convergence in the B3LYP methodEchenique, Pablo CSIC ORCID; Chass, Gregorypreprint
openAccess2012_PurityEhrenfest.pdf.jpg2-ago-2012Ehrenfest dynamics is purity non-preserving: a necessary ingredient for decoherenceAlonso, José Luis CSIC ORCID; Clemente-Gallardo, Jesús; Cuchí, Juan Carlos; Echenique, Pablo CSIC ORCID; Falceto, Fernandopreprint
openAccess2011_LagrangeMultipliers.pdf.jpg8-ago-2011Exact and efficient calculation of lagrange multipliers in biological polymers with constrained bond lengths and bond angles: Proteins and nucleic acids as example casesGarcía-Risueño, Pablo CSIC; Echenique, Pablo CSIC ORCID; Alonso, José Luis CSIC ORCIDpreprint
openAccess2006_Externals.pdf.jpg17-ago-2006Explicit factorization of external coordinates in constrained Statistical Mechanics modelsEchenique, Pablo CSIC ORCID; Calvo, Ivánpreprint
openAccess2009_ConformationalSpaceNetworks.pdf.jpg26-jun-2009Exploring the Free Energy Landscape: From Dynamics to Networks and BackPrada-Gracia, Diego; Gómez-Gardeñes, Jesús; Echenique, Pablo CSIC ORCID; Falo, Fernandopreprint
openAccess2011_8_25_Quixote_meeting_v2.pdf.jpg29-ago-2011From "Databases in QC 2010, ZCAM, Sep 2010" onwards: a brief history of QuixoteEstrada, Jorge CSIC ORCID; Echenique, Pablo CSIC ORCIDpresentación
openAccess2006_Immunization.pdf.jpg2006Immunization of real complex communication networksGómez-Gardeñes, Jesús; Echenique, Pablo CSIC ORCID; Moreno, Yamirpreprint
openAccess2004_Routing.pdf.jpg15-nov-2004Improved routing strategies for Internet traffic deliveryEchenique, Pablo CSIC ORCID; Gómez-Gardeñes, Jesús; Moreno, Yamirpreprint
openAccess2007_IntroProtFoldPhys.pdf.jpgabr-2007Introduction to protein folding for physicistsEchenique, Pablo CSIC ORCIDpreprint
openAccess2012_BandedMatricesInversion.pdf.jpg19-ene-2012Linearly scaling direct method for accurately inverting sparse banded matricesGarcía-Risueño, Pablo CSIC; Echenique, Pablo CSIC ORCIDpreprint
openAccessModified Ehrenfest.pdf.jpg2009Modified Ehrenfest formalism for efficient large-scale ab initio molecular dynamicsAndrade, Xavier; Castro, Alberto; Zueco, David CSIC ORCID; Alonso, J. A. CSIC ORCID; Echenique, Pablo CSIC ORCID; Falceto, Fernando; Rubio, Angel CSIC ORCIDartículo
openAccessNon-adiabatic effects within.pdf.jpg31-ago-2012Non-adiabatic effects within a single thermally averaged potential energy surface: Thermal expansion and reaction rates of small moleculesAlonso, José Luis CSIC ORCID; Castro, Alberto; Clemente-Gallardo, Jesús; Echenique, Pablo CSIC ORCID; Mazo, J. J. CSIC ORCID; Polo, Víctor CSIC ORCID; Rubio, Angel CSIC ORCID; Zueco, David CSIC ORCIDartículo
openAccessPhysRevE.91.022137-1.pdf.jpg2015Nonextensive thermodynamic functions in the Schrödinger-Gibbs ensembleAlonso, José Luis CSIC ORCID; Castro, Alberto; Clemente-Gallardo, Jesús; Cuchí, Juan Carlos; Echenique, Pablo CSIC ORCID; Esteve, J.G.; Falceto, F.artículo
openAccess2012_TDDFTandMD.pdf.jpg2012On the combination of TDDFT with molecular dynamics: New developmentsAlonso, José Luis CSIC ORCID; Castro, Alberto; Echenique, Pablo CSIC ORCID; Rubio, Angel CSIC ORCIDcapítulo de libro
closedAccessaccesoRestringido.pdf.jpg2015Predicting stabilizing mutations in proteins using Poisson-Boltzmann based models: Study of unfolded state ensemble models and development of a successful binary classifier based on residue interaction energiesEstrada, Jorge CSIC ORCID; Echenique, Pablo CSIC ORCID; Sancho, Javier CSIC ORCIDartículo