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Modelling substrate specificity and enantioselectivity for lipases and esterases by substrate-imprinted docking
BACKGROUND: Previously, ways to adapt docking programs that were developed for modelling inhibitor-receptor interaction have been explored. Two main issues were discussed. First, when trying to model catalysis a reaction intermediate of the substrate is expected to provide more valid information tha...
| Autores principales: | , , , |
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| Formato: | Texto |
| Lenguaje: | English |
| Publicado: |
BioMed Central
2009
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2699341/ https://www.ncbi.nlm.nih.gov/pubmed/19493341 http://dx.doi.org/10.1186/1472-6807-9-39 |