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Optimal strategies for virtual screening of induced-fit and flexible target in the 2015 D3R Grand Challenge
Induced fit or protein flexibility can make a given structure less useful for docking and/or scoring. The 2015 Drug Design Data Resource (D3R) Grand Challenge provided a unique opportunity to prospectively test optimal strategies for virtual screening in these type of targets: heat shock protein 90...
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| Vydáno v: | J Comput Aided Mol Des |
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| Hlavní autoři: | , , , |
| Médium: | Artigo |
| Jazyk: | Inglês |
| Vydáno: |
2016
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| Témata: | |
| On-line přístup: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5079819/ https://ncbi.nlm.nih.gov/pubmed/27573981 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1007/s10822-016-9941-0 |
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