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数据输入

Pharmaco-Net共有7个输入模块。
input

① PDB File Upload:上传蛋白质PDB文件
② PDB Code Input:输入蛋白质PDB Code
③ Protein Sequence Upload:上传蛋白质序列文件
④ Protein Sequence (Text):输入蛋白质序列
⑤ Upload SMILEs:上传SMILEs文件
⑥ Ligand Library:选择Pharmaco-Net内置配体库
⑦ Ligand Upload:上传用户配体库

输入模块可连接的模块

① PDB File Upload,② PDB Code Input 模块可与PocketFinder模块进行连接。
pdb_upload
pdb_code_input

③ Protein Sequence Upload,④ Protein Sequence (Text) 模块可与CaliciFold模块进行连接。
seq_upload
seq_text_upload

⑤ Upload SMILEs 模块可与ADME-Tox模块进行连接。
smiles

⑥ Ligand Library,⑦ Ligand Upload 模块可与AI-Dock Plus模块进行连接。
ligand_lib
ligand_upload