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Proteins|November 2, 2004
Partition of protein solvation into group contributions from molecular dynamics simulationsAntonio Morreale, Xavier de la Cruz, Tim Meyer, et al.The Journal of Physical Chemistry. B|January 30, 2008
Ab initio study of naphtho-homologated DNA basesAlvaro Vazquez-Mayagoita, Oscar Huertas, Miguel Fuentes-Cabrera, et al.Journal of Biomolecular Structure & Dynamics|December 21, 2005
Data mining of molecular dynamics trajectories of nucleic acidsAgnes Noy, Tim Meyer, Manuel Rueda, et al.Chemistry (Weinheim an Der Bergstrasse, Germany)|November 7, 2006
Exploring the dynamics of calix[4]pyrrole: effect of solvent and fluorine substitutionJ Ramón Blas, Jose Maria López-Bes, Manuel Márquez, et al.Journal of Chemical Theory and Computation|December 1, 2015
Approaching Elastic Network Models to Molecular Dynamics FlexibilityLaura Orellana, Manuel Rueda, Carles Ferrer-Costa, et al.Journal of the American Chemical Society|May 18, 2006
On the origin of the stereoselectivity in the alkylation of oxazolopiperidone enolatesIgnacio Soteras, Oscar Lozano, Arantxa Gómez-Esqué, et al.BMC Structural Biology|February 18, 2009
Comparison of molecular dynamics and superfamily spaces of protein domain deformationJavier A Velázquez-Muriel, Manuel Rueda, Isabel Cuesta, et al.Plos Computational Biology|December 19, 2013
Exploring early stages of the chemical unfolding of proteins at the proteome scaleMichela Candotti, Alberto Pérez, Carles Ferrer-Costa, et al.Journal of Computational Chemistry|January 28, 2003
Electrostatic component of solvation: comparison of SCRF continuum modelsCarles Curutchet, Christopher J Cramer, Donald G Truhlar, et al.Journal of Chemical Theory and Computation|December 5, 2015
Derivation of Distributed Models of Atomic Polarizability for Molecular SimulationsIgnacio Soteras, Carles Curutchet, Axel Bidon-Chanal, et al.Pageof 50