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Full Protein Flexibility is Essential for Proper Hot-Spot Mapping
A traditional technique for structure-based drug design (SBDD) is mapping protein surfaces with probe molecules to identify “hot spots” where key functional groups can best complement the receptor. Common methods, such as minimizing probes or calculating grids, use a fixed protein structure in the g...
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| Main Authors: | , |
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| Format: | Artigo |
| Sprog: | Inglês |
| Udgivet: |
2010
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| Fag: | |
| Online adgang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3081398/ https://ncbi.nlm.nih.gov/pubmed/21158470 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ja1079332 |
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