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Journal of Computational Chemistry|May 11, 2006
Definition of Systematic, Approximately Separable, and Modular Internal Coordinates (SASMIC) for macromolecular simulationPablo Echenique, J L AlonsoJournal of Computational Chemistry|August 11, 2006
Quantum mechanical calculation of the effects of stiff and rigid constraints in the conformational equilibrium of the alanine dipeptidePablo Echenique, Iván Calvo, J L AlonsoJournal of Computational Chemistry|August 9, 2011
Exact and efficient calculation of Lagrange multipliers in biological polymers with constrained bond lengths and bond angles: proteins and nucleic acids as example casesPablo García-Risueño, Pablo Echenique, J L AlonsoPlos One|September 21, 2011
An exact expression to calculate the derivatives of position-dependent observables in molecular simulations with flexible constraintsPablo Echenique, Claudio N Cavasotto, Monica De Marco, et al.Plos One|December 7, 2017
Correction: An Exact Expression to Calculate the Derivatives of Position-Dependent Observables in Molecular Simulations with Flexible ConstraintsPablo Echenique, Claudio N Cavasotto, Monica De Marco, et al.Journal of Chemical Theory and Computation|November 27, 2015
Modified Ehrenfest Formalism for Efficient Large-Scale ab initio Molecular DynamicsXavier Andrade, Alberto Castro, David Zueco, et al.Journal of Computational Chemistry|August 19, 2006
Explicit factorization of external coordinates in constrained statistical mechanics modelsPablo Echenique, Iván CalvoJournal of Computational Chemistry|December 7, 2005
A physically meaningful method for the comparison of potential energy functionsJosé Luis Alonso, Pablo EcheniqueJournal of Computational Chemistry|February 14, 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 setsPablo Echenique, José Luis AlonsoBiophysical Chemistry|March 9, 2005
Relevant distance between two different instances of the same potential energy in protein foldingJosé L Alonso, Pablo EcheniquePageof 26