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ORCIDPablo Echenique
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2010 – 2019
- 2011
[j8]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): 3039-3046 (2011)- [j7]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: 38 (2011) - 2010
- [i1]Pablo García-Risueño, Pablo Echenique:
Linearly scaling direct method for accurately inverting sparse banded matrices. CoRR abs/1009.0938 (2010)
2000 – 2009
- 2009
- [j6]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) - 2008
- [j5]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): 1408-1422 (2008) - 2006
- [j4]José Luis Alonso, Pablo Echenique:
A physically meaningful method for the comparison of potential energy functions. J. Comput. Chem. 27(2): 238-252 (2006) - [j3]Pablo Echenique, José Luis Alonso:
Definition of Systematic, Approximately Separable, and Modular Internal Coordinates (SASMIC) for macromolecular simulation. J. Comput. Chem. 27(10): 1076-1087 (2006) - [j2]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): 1733-1747 (2006) - [j1]Pablo Echenique, Iván Calvo:
Explicit factorization of external coordinates in constrained statistical mechanics models. J. Comput. Chem. 27(14): 1748-1755 (2006)
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