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Halogen Bonds in Ligand–Protein Systems: Molecular Orbital Theory for Drug Design
[Image: see text] Halogen bonds are highly important in medicinal chemistry as halogenation of drugs, generally, improves both selectivity and efficacy toward protein active sites. However, accurate modeling of halogen bond interactions remains a challenge, since a thorough theoretical investigation...
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| 發表在: | J Chem Inf Model |
|---|---|
| Main Authors: | , , , , , , |
| 格式: | Artigo |
| 語言: | Inglês |
| 出版: |
American Chemical
Society
2020
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| 在線閱讀: | https://ncbi.nlm.nih.gov/pmc/articles/PMC7093837/ https://ncbi.nlm.nih.gov/pubmed/32003997 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jcim.9b00946 |
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