Brownian dynamics simulation of molecular transport through the nuclear pore complex (NPC).
This repository contains the simulation code used in the study:
"Role of pore dilation in molecular transport through the nuclear pore complex: insights from polymer scaling theory" by Atsushi Matsuda and Mohammad R. K. Mofrad.
- The main simulation code is located in:
prog/sim
Please refer to the README in this directory for instructions on how to compile and run the code.
The study implements advanced computational methods located in the following directories:
-
First flux calculation:
prog/method/basin -
Forward flux sampling (FFS):
prog/method/ffs
Each method has its own README file with detailed usage instructions.