251 citations · 829 across the 10 of their papers we have counts for
4 papers · 1 filter
Explicit factorization of external coordinates in constrained Statistical Mechanics models
Pablo Echenique, Ivan Calvo
If a macromolecule is described by curvilinear coordinates or rigid constraints are imposed, the equilibrium probability density that must be sampled in Monte Carlo simulations inc…
Definition of Systematic, Approximately Separable and Modular Internal Coordinates (SASMIC) for macromolecular simulation
Pablo Echenique, J. L. Alonso
A set of rules is defined to systematically number the groups and the atoms of organic molecules and, particularly, of polypeptides in a modular manner. Supported by this numeratio…
Immunization of Real Complex Communication Networks
Jesus Gomez-Gardenes, Pablo Echenique, Yamir Moreno
Most communication networks are complex. In this paper, we address one of the fundamental problems we are facing nowadays, namely, how we can efficiently protect these networks. To…
A physically meaningful method for the comparison of potential energy functions
J. L. Alonso, Pablo Echenique
In the study of the conformational behavior of complex systems, such as proteins, several related statistical measures are commonly used to compare two different potential energy f…