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Protocol for hit-to-lead optimization of compounds by auto in silico ligand directing evolution (AILDE) approach
Hit-to-lead (H2L) optimization is crucial for drug design, which has become an increasing concern in medicinal chemistry. A virtual screening strategy of auto in silico ligand directing evolution (AILDE) has been developed to yield promising lead compounds rapidly and efficiently. The protocol inclu...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Elsevier
2021
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7856476/ https://www.ncbi.nlm.nih.gov/pubmed/33554146 http://dx.doi.org/10.1016/j.xpro.2021.100312 |