A structure-based framework for selective inhibitor design and optimization
Abstract Structure-based drug design aims to create active compounds with favorable properties by analyzing target structures. Recently, deep generative models have facilitated structure-specific molecular generation. However, many methods are limited by inadequate pharmaceutical data, resulting in...
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| Principais autores: | , , , , , , , , , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
Nature Portfolio
2025-03-01
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| coleção: | Communications Biology |
| Acesso em linha: | https://doi.org/10.1038/s42003-025-07840-3 |
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