Mostrando resultados 23 a 39 de 39
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Derechos | Preview | Fecha Public. | Título | Autor(es) | Tipo |
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 |
openAccess | | 9-ago-2006 | Quantum mechanical calculation of the effects of stiff and rigid constraints in the conformational equilibrium of the alanine dipeptide | Echenique, Pablo CSIC ORCID; Calvo, Iván; Alonso, José Luis CSIC ORCID | preprint |
openAccess | | 31-oct-2013 | Reducing the standard deviation in multiple-assay experiments where the variation matters but the absolute value does not | Echenique, Pablo CSIC ORCID; Nelo Bazán, María Alejandra; Carrodeguas, José A. CSIC ORCID | preprint |
openAccess | | 1-abr-2005 | Relevant distance between two different instances of the same potential energy in protein folding | Alonso, José Luis CSIC ORCID; Echenique, Pablo CSIC ORCID | preprint |
openAccess | | 7-sep-2011 | Statistics and Nosé formalism for Ehrenfest dynamics | Alonso, José Luis CSIC ORCID; Castro, Alberto; Clemente-Gallardo, Jesús; Cuchí, Juan Carlos; Echenique, Pablo CSIC ORCID; Falceto, Fernando | preprint |
openAccess | | nov-2011 | The canonical equilibrium of constrained molecular models | Echenique, Pablo CSIC ORCID; Cavasotto, Claudio; García-Risueño, Pablo CSIC | preprint |
openAccess | | 26-ago-2011 | The Quixote Project: a pioneering work in managing Computational Chemistry research data | Echenique, Pablo CSIC ORCID | presentación |
openAccess | | 2011 | The Quixote project: Collaborative and Open Quantum Chemistry data management in the Internet age | Adams, Sam; de Castro, Pablo; Echenique, Pablo CSIC ORCID; Estrada, Jorge CSIC ORCID; Hanwell, Marcus D; Murray-Rust, Peter; Sherwood, Paul; Thomas, Jens; Toe, Townsend | preprint |
openAccess | | 14-oct-2011 | The Quixote project: Collaborative and Open Quantum Chemistry data management in the Internet age | Adams, Sam; de Castro, Pablo; Echenique, Pablo CSIC ORCID; Estrada, Jorge CSIC ORCID; Hanwell, Marcus D; Murray-Rust, Peter; Sherwood, Paul; Thomas, Jens; Townsend, Joe A | artículo |