22 citations · 33 across the 3 of their papers we have counts for
3 papers
pyMBE: the Python-based Molecule Builder for ESPResSo
David Beyer, Paola B. Torres, Sebastian P. Pineda +4
We present the Python-based Molecule Builder for ESPResSo (pyMBE), an open source software to design custom Coarse-Grained (CG) models, as well as pre-defined models of polyelectro…
The explicit bonding Reaction ensemble Monte Carlo method
Pablo M. Blanco, Peter Košovan
We present the explicit bonding Reaction ensemble Monte Carlo (eb-RxMC) method, designed to sample reversible bonding reactions in macromolecular systems in thermodynamic equilibri…
Investigation of tracer diffusion in crowded cylindrical channel
Rajarshi Chakrabarti, Stefan Kesselheim, Peter Kosovan +1
Based on a coarse-grained model, we carry out molecular dynamics simulations to analyze the diffusion of a small tracer particle inside a cylindrical channel whose inner wall is co…