Pablo Echenique

Publication Activity (10 Years)

Years Active: 2006-2011
Publications (10 Years): 0

Publications

Sam E. Adams, Pablo de Castro, Pablo Echenique, Jorge Estrada, Marcus D. Hanwell, Peter Murray-Rust, Paul Sherwood, Jens Thomas, Joe Townsend
The Quixote project: Collaborative and Open Quantum Chemistry data management in the Internet age. J. Cheminformatics 3 (2011)
Pablo García-Risueño, Pablo Echenique, José Luis Alonso
Exact and efficient calculation of lagrange multipliers in biological polymers with constrained bond lengths and bond angles: Proteins and nucleic acids as example cases. J. Comput. Chem. 32 (14) (2011)
Pablo García-Risueño, Pablo Echenique
Linearly scaling direct method for accurately inverting sparse banded matrices CoRR (2010)
Diego Prada-Gracia, Jesús Gómez-Gardeñes, Pablo Echenique, Fernando Falo
Exploring the Free Energy Landscape: From Dynamics to Networks and Back. PLoS Comput. Biol. 5 (6) (2009)
Pablo Echenique, José Luis Alonso
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. J. Comput. Chem. 29 (9) (2008)
Pablo Echenique, José Luis Alonso
Definition of Systematic, Approximately Separable, and Modular Internal Coordinates (SASMIC) for macromolecular simulation. J. Comput. Chem. 27 (10) (2006)
Pablo Echenique, Iván Calvo
Explicit factorization of external coordinates in constrained statistical mechanics models. J. Comput. Chem. 27 (14) (2006)
Pablo Echenique, Iván Calvo, José Luis Alonso
Quantum mechanical calculation of the effects of stiff and rigid constraints in the conformational equilibrium of the alanine dipeptide. J. Comput. Chem. 27 (14) (2006)
José Luis Alonso, Pablo Echenique
A physically meaningful method for the comparison of potential energy functions. J. Comput. Chem. 27 (2) (2006)