Protein
IQ
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Tool
Name
Project
Inputs
Protein
IQ
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New batch
Batch setup
Tool
PocketXMol
Name
Project
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Inputs
Template
CSV / Excel
Paste CSV
PocketXMol mode
Dock
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Protein structure
Upload files
or drag and drop
PDB, ENT · up to 50 MB
Ligand or peptide to dock
Files
SMILES
Upload files
or drag and drop
SDF, MOL, PDB, SMI, SMILES, TXT · up to 10 MB
Pocket definition
Denoising center
Auto from positioned ligand/reference
Pocket radius (A)
Pocket distance criterion
Center of mass
Mode parameters
Docking noise
Gaussian noise
Sampling settings
Number of molecules
Trajectory save probability
Random seed
Batch pairing
All combinations
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