DynamicBind
Predict protein-ligand complexes using protein structure files and ligands in SMILES format.
DynamicBind uses a deep equivariant generative model to predict ligand-specific protein-ligand complex structures. It works with unbound protein structures, including AlphaFold models, and requires only ligand SMILES and protein structure to predict complex structures.
Estimated resource cost: 0.000527
Categories: Ligand/Drug Design & Screening, Molecular Docking & Interactions
Tags: Affinity Prediction Protein–Ligand Docking Virtual Screening
Key Capabilities
- Employs a deep equivariant generative model to predict ligand-specific protein-ligand complex structures.
- Works with unbound protein structures, including AlphaFold models.
- Requires only ligand SMILES and protein structure to predict complex structures.
Runtime Statistics
| Metric | Value |
|---|---|
| runtime_mean | 230 |
| runtime_median | 127 |
| runtime_std | 692 |
| runtime_90th_percentile | 394 |
| runtime_max | 32365 |
Similar Tools
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Ready to submit your job?
Review your configuration, then confirm the estimated credit cost before you run the job. Note that credit estimates are not guaranteed and runtime can vary depending on inputs and settings.
Estimated Credits: 0.000527
Invite-only, limited-time access. Please contact ztang@getantibody.com.
Invite-only, limited-time access. Please contact ztang@getantibody.com.