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LeadOp+R: Structure-Based Lead Optimization With Synthetic Accessibility
We previously described a structure-based fragment hopping for lead optimization using a pre-docked fragment database, “LeadOp,” that conceptually replaced “bad” fragments of a ligand with “good” fragments while leaving the core of the ligand intact thus improving the compound's activity. LeadO...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Frontiers Media S.A.
2018
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5845126/ https://www.ncbi.nlm.nih.gov/pubmed/29556192 http://dx.doi.org/10.3389/fphar.2018.00096 |