72 citations · 98 across the 3 of their papers we have counts for
3 papers
cond-mat.soft2023★ 1 cited
The GōMartini approach: Revisiting the concept of contact maps and the modelling of protein complexes
Luis F. Cofas-Vargas, Rodrigo A. Moreira, Simón Poblete +2
We present a review of a series of contact maps for the determination of native interactions in proteins and nucleic acids based on a distance-threshold. Such contact maps are most…
physics.bio-ph2018★ 25 cited
Generalization of the Elastic Network model for the study of large conformational changes in biomolecules
A. B. Poma, M. S. Li, P. E. Theodorakis
The elastic network (EN) is a prime model that describes the long-time dynamics of biomolecules. However, the use of harmonic potentials renders this model insufficient for studyin…
cond-mat.soft2010★ 72 cited
Classical-path integral adaptive resolution in molecular simulation: towards a smooth quantum-classical coupling
A. B. Poma, L. Delle Site
Simulations that couple different classical molecular models in an adaptive way by changing the number of degrees of freedom on the fly, are available within reasonably consistent…