Commit d4dc7d2f authored by nchenche's avatar nchenche
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add dynamcBind in ligand binding tool category

parent 7341d606
Showing with 15 additions and 1 deletion
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......@@ -52,7 +52,7 @@ You can expand this collection: by following [contribution guideline](./CONTRIBU
**Paper:** [Computational and Structural Biotechnology Journal](https://www.sciencedirect.com/science/article/pii/S2001037025000224)
**Code:** [GitHub](https://github.com/ohuelab/SpatialPPIv2)
**Code:** [GitHub - SpatialPPI](https://github.com/ohuelab/SpatialPPIv2)
**Licence:** Apache-2.0 license
......@@ -82,6 +82,20 @@ You can expand this collection: by following [contribution guideline](./CONTRIBU
> Tools focused on predicting, modeling, or simulating the binding of small molecules (ligands) to macromolecules, including docking software and scoring methods.
### [DynamicBind](https://github.com/luwei0917/DynamicBind) – *January 2024*
**Description:** DynamicBind recovers ligand-specific conformations from unbound protein structures (e.g. AF2-predicted structures), promoting efficient transitions between different equilibrium states.
**Paper:** [Nature com.](https://www.nature.com/articles/s41467-024-45461-2)
**Code:** [GitHub – DynamicBind](https://github.com/luwei0917/DynamicBind)
**Licence:** MIT
**Tags:** #ligand-binding #conformations #ai #open-source #diffusion #state-transition
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### [GNINA](https://github.com/gnina/gnina) – *June 2021*
**Description:** Molecular docking software with integrated convolutional neural networks for scoring protein–ligand binding.
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