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End-to-end protein–ligand complex structure generation with diffusion-based generative models
BACKGROUND: Three-dimensional structures of protein–ligand complexes provide valuable insights into their interactions and are crucial for molecular biological studies and drug design. However, their high-dimensional and multimodal nature hinders end-to-end modeling, and earlier approaches depend in...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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BioMed Central
2023
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10240776/ https://www.ncbi.nlm.nih.gov/pubmed/37277701 http://dx.doi.org/10.1186/s12859-023-05354-5 |