Molecular　docking　is　a　powerful　tool　for　predicting　both　the　binding　mode　and　the　binding　free　energy　of　a　protein-ligand　complex.　The　method　was　originally　developed　for　the　drug　discovery,　and　it　can　also　be　used　for　studies　in　other　fields.　Here,　current　molecular　docking　methods　were　carefully　reviewed,　and　a　widely-used　docking-based　virtual　screening　technology　was　introduced.　Then,　applications　of　molecular　docking　to　the　fields　of　protein　engineering,　bioremediation,　biosensor,　nanoscience　were　presented.　This　review　can　promote　the　applications　of　molecular　docking　in　studies　other　than　the　drug　discovery.　©　2017,　Editorial　Department　of　Journal　of　Beijing　University　of　Technology.　All　right　reserved.