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Input Data

There are seven input data modules in total.
input

① PDB File Upload: Upload your PDB file from your local storage
② PDB Code Input: Input PDB code to Download PDB from web
③ Protein Sequence Upload: Upload text file that contains Protein sequence
④ Protein Sequence (Text): Enter Protein equence directly
⑤ Upload SMILEs: Upload .csv File that contains SMILEs string
⑥ Ligand Library: Select compound from existing Pharmaco-Net compound library
⑦ Ligand Upload: Uplaod ligand files from your local storage

Modules after Input Data module

The ① PDB File Upload and ② PDB Code Input modules can be connected to the PocketFinder module.
pdb_upload
pdb_code_input

The ③ Protein Sequence Upload, ④ Protein Sequence (Text) modules can be connected to the CaliciFold module.
seq_upload
seq_text_upload

⑤ The Upload SMILEs module can be connected to the ADME-Tox module.
smiles

The ⑥ Ligand Library, ⑦ Ligand Upload modules can be connected to the AI-Dock Plus module.
ligand_lib
ligand_upload