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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...
Wedi'i Gadw mewn:
| Cyhoeddwyd yn: | J Comput Aided Mol Des |
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| Prif Awduron: | , , , , , , , , , , |
| Fformat: | Artigo |
| Iaith: | Inglês |
| Cyhoeddwyd: |
2018
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| Pynciau: | |
| Mynediad Ar-lein: | 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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