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Overview of the SAMPL5 host–guest challenge: Are we doing better?
The ability to computationally predict protein-small molecule binding affinities with high accuracy would accelerate drug discovery and reduce its cost by eliminating rounds of trial-and-error synthesis and experimental evaluation of candidate ligands. As academic and industrial groups work toward t...
Guardat en:
| Publicat a: | J Comput Aided Mol Des |
|---|---|
| Autors principals: | , , , , , , |
| Format: | Artigo |
| Idioma: | Inglês |
| Publicat: |
2016
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| Matèries: | |
| Accés en línia: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5241188/ https://ncbi.nlm.nih.gov/pubmed/27658802 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1007/s10822-016-9974-4 |
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