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Ensemble Docking in Drug Discovery
Ensemble docking corresponds to the generation of an “ensemble” of drug target conformations in computational structure-based drug discovery, often obtained by using molecular dynamics simulation, that is used in docking candidate ligands. This approach is now well established in the field of early-...
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| Publicado no: | Biophys J |
|---|---|
| Main Authors: | , , , , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
The Biophysical Society
2018
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6129458/ https://ncbi.nlm.nih.gov/pubmed/29606412 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.bpj.2018.02.038 |
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