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Developed by Prof Weiliang Zhu's Laboratory
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Target Prediction
Reverse Docking
Ligand Similarity
Deep Learning
Results
Virtual Screening
Molecular Docking
Ligand Similarity
Deep Learning
Results
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Target Prediction Based on Reverse Docking:
Step 1. To set job title
Job Title:
Step 2. To upload ligand file (.mol2|.mol|.sdf|.smi)
Molecule File:
|
Sample File 1
Step 3. To select proteins/diseases
Target Name:
(Format: target1; target2; ... e.g. adenosine kinase)
UniProt ID:
(Format: uniProt1; uniProt2; ... e.g. P55263)
PDB ID:
(Format: PDB_ID1; PDB_ID2; ... e.g. 6c9p)
Disease:
(Format: diseas1; disease2; ... e.g. diabetes)
hypertension
,
diabetes
,
inflammatory
,
asthma
,
stroke
,
depression
,
cancer
,
pain
,
alzheimer
,
obesity
.