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Classical QSAR and Docking Simulation of 4-Pyridone Derivatives for Their Antimalarial Activity
In this work, the minimum energy structures of 22 4-pyridone derivatives have been optimized at Density Functional Theory level, and several quantum molecular, including electronic and thermodynamic descriptors, were computed for these substrates in order to obtain a statistical and meaningful QSAR...
Guardat en:
| Publicat a: | Molecules |
|---|---|
| Autors principals: | , , , , , |
| Format: | Artigo |
| Idioma: | Inglês |
| Publicat: |
MDPI
2018
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| Matèries: | |
| Accés en línia: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6321536/ https://ncbi.nlm.nih.gov/pubmed/30513742 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3390/molecules23123166 |
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