Before revision:  A complex topology of channels in proteins leads often to difficulties in modeling ligand escape pathways by classical molecular dynamics simulations. In this paper two novel memetic methods for searching the exit paths and cavity space exploration are proposed: Memory Enhanced Random Acceleration (MERA)Molecular Dynamics and Immune Algorithm (IA ).
After revision:  A complex topology of channels in proteins leads often to difficulties in modeling ligand escape pathways by standard molecular dynamics (MD) simulations. Here, two novel methods for searching the exit paths and cavity space exploration are proposed: Memory Enhanced Random Acceleration (MERA)Molecular Dynamics and Immune Algorithm (IA ).