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FReDoWS: a method to automate molecular docking simulations with explicit receptor flexibility and snapshots selection
BACKGROUND: In silico molecular docking is an essential step in modern drug discovery when driven by a well defined macromolecular target. Hence, the process is called structure-based or rational drug design (RDD). In the docking step of RDD the macromolecule or receptor is usually considered a rigi...
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| Main Authors: | , , , , |
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| Format: | Artigo |
| Sprog: | Inglês |
| Udgivet: |
BioMed Central
2011
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| Fag: | |
| Online adgang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3287589/ https://ncbi.nlm.nih.gov/pubmed/22369186 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1186/1471-2164-12-S4-S6 |
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