 | 2011 |
|---|
| 8 |       | 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.
Journal of Computational Chemistry 32(14): 3039-3046 (2011) |
| 2010 |
|---|
| 7 | | Pablo García-Risueño,
Pablo Echenique:
Linearly scaling direct method for accurately inverting sparse banded matrices
CoRR abs/1009.0938: (2010) |
| 2009 |
|---|
| 6 | | Diego Prada-Gracia,
Jesús Gómez-Gardeñes,
Pablo Echenique,
Fernando Falo:
Exploring the Free Energy Landscape: From Dynamics to Networks and Back.
PLoS Computational Biology 5(6): (2009) |
| 2008 |
|---|
| 5 | | 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.
Journal of Computational Chemistry 29(9): 1408-1422 (2008) |
| 2006 |
|---|
| 4 | | Pablo Echenique,
José Luis Alonso:
Definition of Systematic, Approximately Separable, and Modular Internal Coordinates (SASMIC) for macromolecular simulation.
Journal of Computational Chemistry 27(10): 1076-1087 (2006) |
| 3 | | 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.
Journal of Computational Chemistry 27(14): 1733-1747 (2006) |
| 2 | | Pablo Echenique,
Iván Calvo:
Explicit factorization of external coordinates in constrained statistical mechanics models.
Journal of Computational Chemistry 27(14): 1748-1755 (2006) |
| 1 | | José Luis Alonso,
Pablo Echenique:
A physically meaningful method for the comparison of potential energy functions.
Journal of Computational Chemistry 27(2): 238-252 (2006) |
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