Llwytho...
Ensemble-based docking: From hit discovery to metabolism and toxicity predictions
This paper describes and illustrates the use of ensemble-based docking, i.e., using a collection of protein structures in docking calculations for hit discovery, the exploration of biochemical pathways and toxicity prediction of drug candidates. We describe the computational engineering work necessa...
Wedi'i Gadw mewn:
| Cyhoeddwyd yn: | Bioorg Med Chem |
|---|---|
| Prif Awduron: | , , , , , , |
| Fformat: | Artigo |
| Iaith: | Inglês |
| Cyhoeddwyd: |
2016
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| Pynciau: | |
| Mynediad Ar-lein: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5073379/ https://ncbi.nlm.nih.gov/pubmed/27543390 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.bmc.2016.07.064 |
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