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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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| Pubblicato in: | J Comput Aided Mol Des |
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| Autori principali: | , , , , , , , , , , |
| Natura: | Artigo |
| Lingua: | Inglês |
| Pubblicazione: |
2018
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| Soggetti: | |
| Accesso online: | 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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