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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...
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| Udgivet i: | J Comput Aided Mol Des |
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| Main Authors: | , , , , , , |
| Format: | Artigo |
| Sprog: | Inglês |
| Udgivet: |
2016
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| Fag: | |
| Online adgang: | 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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