From: Application of molecular dynamics simulation in self-assembled cancer nanomedicine
Name | Research Direction | Advantage | Disadvantage | Ref |
---|---|---|---|---|
NAMD | Simulated organism, chemical soft materials | Compatible with multiple file formats, best parallel processing and high efficiency | Restrictions on metal atoms | [61] |
AMBER | Biological system, few chemical system | Convenient modeling of new molecules and models | Low computational efficiency and slow speed | [62] |
CHARMM | Biological system, few chemical system | Fast updating potential energy model | Low computational efficiency and slow speed | [63] |
GROMACS | Bioprotein system | Support all simulation algorithms | No suitable to research abiotic protein field | [64] |
LAMMPS | Material, Metal field | High parallel processing efficiency, complete ensemble and potential functions | Data processing function is weak | [65] |