生物医药计算工具
分子对接(Molecular Docking)
AutoDock:http://autodock.scripps.edu/
AutoDock Vina:http://vina.scripps.edu/index.html
DOCK6:http://dock.compbio.ucsf.edu/DOCK_6/index.htm
分子动力学(Molecular Dynamics)
Amber:http://ambermd.org/
Gromacs:http://www.gromacs.org/
NAMD:http://www.ks.uiuc.edu/Research/namd/
可视化(Visualization)
Pymol:http://www.pymol.org/
Chimera:http://www.cgl.ucsf.edu/chimera/
VMD:http://www.ks.uiuc.edu/Research/vmd/
其它
Open Babel:http://openbabel.org/wiki/Main_Page