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Derechos | Preview | Fecha Public. | Título | Autor(es) | Tipo |
closedAccess | | 2016 | Early 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 ORCID | artículo |
openAccess | | 13-dic-2011 | Editorial - Constraints: From physical principles to molecular simulations and beyond | Ciccotti, G.; Echenique, Pablo CSIC ORCID | editorial |
openAccess | | 2006 | Effects of constraints in general branched molecules: A quantitative ab initio study in HCO-L-Ala-NH2 | Echenique, Pablo CSIC ORCID; Alonso, José Luis CSIC ORCID; Calvo, Iván | comunicación de congreso |
openAccess | | 2008 | Efficient formalism for large-scale Ab initio molecular dynamics based on time-dependent density functional theory | Alonso, José Luis CSIC ORCID; Andrade, Xavier; Echenique, Pablo CSIC ORCID; Falceto, Fernando; Prada-Gracia, D.; Rubio, Angel CSIC ORCID | artículo |
openAccess | | 15-jul-2008 | Efficient model chemistries for peptides. I. General framework and a study of the heterolevel approximation in RHF and MP2 with Pople split-valence basis sets | Echenique, Pablo CSIC ORCID; Alonso, José Luis CSIC ORCID | preprint |
openAccess | | 1-ene-2009 | Efficient model chemistries for peptides. II. Basis set convergence in the B3LYP method | Echenique, Pablo CSIC ORCID; Chass, Gregory | preprint |
openAccess | | 2-ago-2012 | Ehrenfest dynamics is purity non-preserving: a necessary ingredient for decoherence | Alonso, José Luis CSIC ORCID; Clemente-Gallardo, Jesús; Cuchí, Juan Carlos; Echenique, Pablo CSIC ORCID; Falceto, Fernando | preprint |
openAccess | | 8-ago-2011 | Exact and efficient calculation of lagrange multipliers in biological polymers with constrained bond lengths and bond angles: Proteins and nucleic acids as example cases | García-Risueño, Pablo CSIC; Echenique, Pablo CSIC ORCID; Alonso, José Luis CSIC ORCID | preprint |
openAccess | | 17-ago-2006 | Explicit factorization of external coordinates in constrained Statistical Mechanics models | Echenique, Pablo CSIC ORCID; Calvo, Iván | preprint |
openAccess | | 26-jun-2009 | Exploring the Free Energy Landscape: From Dynamics to Networks and Back | Prada-Gracia, Diego; Gómez-Gardeñes, Jesús; Echenique, Pablo CSIC ORCID; Falo, Fernando | preprint |
openAccess | | 29-ago-2011 | From "Databases in QC 2010, ZCAM, Sep 2010" onwards: a brief history of Quixote | Estrada, Jorge CSIC ORCID; Echenique, Pablo CSIC ORCID | presentación |
openAccess | | 2006 | Immunization of real complex communication networks | Gómez-Gardeñes, Jesús; Echenique, Pablo CSIC ORCID; Moreno, Yamir | preprint |
openAccess | | 15-nov-2004 | Improved routing strategies for Internet traffic delivery | Echenique, Pablo CSIC ORCID; Gómez-Gardeñes, Jesús; Moreno, Yamir | preprint |
openAccess | | abr-2007 | Introduction to protein folding for physicists | Echenique, Pablo CSIC ORCID | preprint |
openAccess | | 19-ene-2012 | Linearly scaling direct method for accurately inverting sparse banded matrices | García-Risueño, Pablo CSIC; Echenique, Pablo CSIC ORCID | preprint |
openAccess | | 2009 | Modified Ehrenfest formalism for efficient large-scale ab initio molecular dynamics | Andrade, Xavier; Castro, Alberto; Zueco, David CSIC ORCID; Alonso, J. A. CSIC ORCID; Echenique, Pablo CSIC ORCID; Falceto, Fernando; Rubio, Angel CSIC ORCID | artículo |
openAccess | | 31-ago-2012 | Non-adiabatic effects within a single thermally averaged potential energy surface: Thermal expansion and reaction rates of small molecules | Alonso, 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 ORCID | artículo |
openAccess | | 2015 | Nonextensive thermodynamic functions in the Schrödinger-Gibbs ensemble | Alonso, José Luis CSIC ORCID; Castro, Alberto; Clemente-Gallardo, Jesús; Cuchí, Juan Carlos; Echenique, Pablo CSIC ORCID; Esteve, J.G.; Falceto, F. | artículo |
openAccess | | 2012 | On the combination of TDDFT with molecular dynamics: New developments | Alonso, José Luis CSIC ORCID; Castro, Alberto; Echenique, Pablo CSIC ORCID; Rubio, Angel CSIC ORCID | capítulo de libro |
closedAccess | | 2015 | Predicting 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 energies | Estrada, Jorge CSIC ORCID; Echenique, Pablo CSIC ORCID; Sancho, Javier CSIC ORCID | artículo |