A physically meaningful method for the comparison of potential energy functions. - José Luis Alonso; Pablo Echenique (J. Comput. Chem., 2006)

Definition of Systematic, Approximately Separable, and Modular Internal Coordinates (SASMIC) for macromolecular simulation. - Pablo Echenique; José Luis Alonso (J. Comput. Chem., 2006)

Explicit factorization of external coordinates in constrained statistical mechanics models. - Pablo Echenique; Iván Calvo (J. Comput. Chem., 2006)

Quantum mechanical calculation of the effects of stiff and rigid constraints in the conformational equilibrium of the alanine dipeptide. - Pablo Echenique; Iván Calvo; José Luis Alonso (J. Comput. Chem., 2006)

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. - Pablo Echenique; José Luis Alonso (J. Comput. Chem., 2008)

Exploring the Free Energy Landscape: From Dynamics to Networks and Back. - Diego Prada-Gracia; Jesús Gómez-Gardeñes; Pablo Echenique; Fernando Falo (PLoS Comput. Biol., 2009)

Linearly scaling direct method for accurately inverting sparse banded matrices - Pablo García-Risueño; Pablo Echenique (CoRR, 2010)

Exact and efficient calculation of lagrange multipliers in biological polymers with constrained bond lengths and bond angles: Proteins and nucleic acids as example cases. - Pablo García-Risueño; Pablo Echenique; José Luis Alonso (J. Comput. Chem., 2011)

The Quixote project: Collaborative and Open Quantum Chemistry data management in the Internet age. - Sam E. Adams; Pablo de Castro; Pablo Echenique; Jorge Estrada; Marcus D. Hanwell; Peter Murray-Rust; Paul Sherwood; Jens Thomas; Joe Townsend (J. Cheminformatics, 2011)