Efficient and accurate large library ligand docking with KarmaDock [0.03%]
使用KarmaDock高效准确地进行大型库配体对接
Xujun Zhang,Odin Zhang,Chao Shen et al.
Xujun Zhang et al.
Ligand docking is one of the core technologies in structure-based virtual screening for drug discovery. However, conventional docking tools and existing deep learning tools may suffer from limited performance in terms of speed, pose quality...