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Conformational fingerprints in the modelling performance of MIA-QSAR: a case for SARS-CoV protease inhibitors
Multivariate image analysis applied to quantitative structure–activity relationships (MIA-QSAR) has proved to be a high-performance 2D tool for drug design purposes. Nonetheless, MIA-QSAR strategy does not efficiently incorporate conformational information. Therefore, understanding the implications...
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| Publicado no: | Mol Simul |
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| Main Authors: | , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
Taylor & Francis
2020
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC7441769/ https://ncbi.nlm.nih.gov/pubmed/34191894 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1080/08927022.2020.1800691 |
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