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Proximal charge effects on guest binding to a non-polar pocket
Science still does not have the ability to accurately predict the affinity that ligands have for proteins. In an attempt to address this, the Statistical Assessment of Modeling of Proteins and Ligands (SAMPL) series of blind predictive challenges is a community-wide exercise aimed at advancing compu...
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| Udgivet i: | Chem Sci |
|---|---|
| Main Authors: | , , , , , , , |
| Format: | Artigo |
| Sprog: | Inglês |
| Udgivet: |
Royal Society of Chemistry
2020
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| Fag: | |
| Online adgang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC7424593/ https://ncbi.nlm.nih.gov/pubmed/32864079 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1039/c9sc06268h |
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