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Navegación por Autor Echenique, Pablo

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DerechosPreviewFecha Public.TítuloAutor(es)Tipo
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
openAccess2006_Constraints.pdf.jpg9-ago-2006Quantum mechanical calculation of the effects of stiff and rigid constraints in the conformational equilibrium of the alanine dipeptideEchenique, Pablo CSIC ORCID; Calvo, Iván; Alonso, José Luis CSIC ORCIDpreprint
openAccessEliminatingSystematicErrors.pdf.jpg31-oct-2013Reducing the standard deviation in multiple-assay experiments where the variation matters but the absolute value does notEchenique, Pablo CSIC ORCID; Nelo Bazán, María Alejandra; Carrodeguas, José A. CSIC ORCIDpreprint
openAccess2005_Distance.pdf.jpg1-abr-2005Relevant distance between two different instances of the same potential energy in protein foldingAlonso, José Luis CSIC ORCID; Echenique, Pablo CSIC ORCIDpreprint
openAccess2011_EhrenfestStatistics.pdf.jpg7-sep-2011Statistics and Nosé formalism for Ehrenfest dynamicsAlonso, José Luis CSIC ORCID; Castro, Alberto; Clemente-Gallardo, Jesús; Cuchí, Juan Carlos; Echenique, Pablo CSIC ORCID; Falceto, Fernandopreprint
openAccess2011_EquilibriumConstrained.pdf.jpgnov-2011The canonical equilibrium of constrained molecular modelsEchenique, Pablo CSIC ORCID; Cavasotto, Claudio; García-Risueño, Pablo CSICpreprint
openAccess2011_08_Quixote_meeting.pdf.jpg26-ago-2011The Quixote Project: a pioneering work in managing Computational Chemistry research dataEchenique, Pablo CSIC ORCIDpresentación
openAccess2011_Quixote.pdf.jpg2011The Quixote project: Collaborative and Open Quantum Chemistry data management in the Internet ageAdams, Sam; de Castro, Pablo; Echenique, Pablo CSIC ORCID; Estrada, Jorge CSIC ORCID; Hanwell, Marcus D; Murray-Rust, Peter; Sherwood, Paul; Thomas, Jens; Toe, Townsendpreprint
openAccess1758-2946-3-38.pdf.jpg14-oct-2011The Quixote project: Collaborative and Open Quantum Chemistry data management in the Internet ageAdams, Sam; de Castro, Pablo; Echenique, Pablo CSIC ORCID; Estrada, Jorge CSIC ORCID; Hanwell, Marcus D; Murray-Rust, Peter; Sherwood, Paul; Thomas, Jens; Townsend, Joe Aartículo
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