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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...
Guardado en:
| Publicado en: | J Comput Aided Mol Des |
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| Autores principales: | , , , , , , , , , , |
| Formato: | Artigo |
| Lenguaje: | Inglês |
| Publicado: |
2018
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| Materias: | |
| Acceso en línea: | 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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