CYP1B1- and CYP1A1-Template systems and their application to metabolism and inhibition
Abstract Prediction of cytochrome P450 (CYP)-mediated metabolism is crucial for assessing the safety of chemicals. An in silico system to reproduce CYP1B1-mediated reactions has been developed by the reverse construction of ligand-accessible spaces from ligand assemblies as a fused grid Template* sy...
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| Principais autores: | , , , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
BMC
2025-12-01
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| coleção: | Genes and Environment |
| Assuntos: | |
| Acesso em linha: | https://doi.org/10.1186/s41021-025-00351-x |
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