D3CARP

Developed by the laboratories of Prof. Weiliang Zhu and Prof. Zhijian Xu

Virtual Screening Based on Ligand Similarity:


Step 1. To set job title

 

Step 2. To upload ligand file (.mol2|.mol|.sdf|.smi)

| Sample File 1

 

Step 3. To select ways of comparing
Method of Similarity:
2D Similarity:FP2 (fast)FP4MACCS
3D Similarity:Rigid alignmentFlexible alignment
Target:
Target Name: (e.g. adenosine kinase)