Improvements in continuum modeling for biomolecular systems
Improvements in continuum modeling for biomolecular systems
Modeling of biomolecular systems plays an essential role in understanding biological processes, such as ionic flow across channels, protein modification or interaction, and cell signaling.The continuum model described by the Poisson-Boltzmann (PB)/Poisson-Nernst-Planck (PNP) equations has made great contributions towards simulation of these processes.However, the model has shortcomings in its commonly …