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The SAMPL4 host–guest blind prediction challenge: an overview
Prospective validation of methods for computing binding affinities can help assess their predictive power and thus set reasonable expectations for their performance in drug design applications. Supramolecular host–guest systems are excellent model systems for testing such affinity prediction methods...
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| Main Authors: | , , , |
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| Format: | Artigo |
| Sprog: | Inglês |
| Udgivet: |
2014
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| Fag: | |
| Online adgang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4053502/ https://ncbi.nlm.nih.gov/pubmed/24599514 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1007/s10822-014-9735-1 |
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