Module 1. The pre-processing of protein, ligand and compound library.

Pre-processing of protein, ligand and compound library.

Module 2. Highly efficient drug screening with KarmaDock.

Molecular Docking with KarmaDock.

Module 3. Highly precise drug screening with CarsiDock.

Molecular Docking with CarsiDock.

Module 4. Hierarchical drug screening with KarmaDock, CarsiDock and RTMScore.

Hierarchical durg screening.

Module 5. Highly precise re-scoring of protein-ligand complex with RTMScore.

Re-scoring using RTM-Score.

Module 6. Calculation and visualization of protein-ligand interaction

Calculation and visualization of protein-ligand interaction
* Download local version of CVSP-AIE (https://github.com/shukai1997/HierVS) to perform super-large-scale virtual screening task.
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