Brownian dynamics (BD) simulation program to study diffusion in crwoded media using the Chain Entanglement Softened Potential (CESP) model. The CESP model uses a shoulder-shaped potential that allows goes beyond the hard sphere model to study highly crowded systems as those present in the cells. The model can be parametrized by a unique parameter (Ur) that is associated with the entanglement energetic cost. For streptavidin protein diffusion in dextran crowded solution, Ur is obtained from the long time diffusion coefficient (Dlong) resulting from BD simulations to the experimental values obtained using Fluorescence Correlation Spectroscopy (FCS).

Authors: Pablo M. Blanco, Sergio Madurga, Josep Lluís Garcés and Francesc Mas

References:

1. Soft Matter, 2018, 14, 3105.
2. Entropy 2017, 19, 105.