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Overview of the SAMPL6 host-guest binding affinity prediction challenge
Accurately predicting the binding affinities of small organic molecules to biological macro-molecules can greatly accelerate drug discovery by reducing the number of compounds that must be synthesized to realize desired potency and selectivity goals. Unfortunately, the process of assessing the accur...
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| Publicado no: | J Comput Aided Mol Des |
|---|---|
| Main Authors: | , , , , , , , , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2018
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6301044/ https://ncbi.nlm.nih.gov/pubmed/30415285 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1007/s10822-018-0170-6 |
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