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Accounting for receptor flexibility and enhanced sampling methods in computer aided drug design
Protein flexibility plays a major role in biomolecular recognition. In many cases it is not obvious how molecular structure will change upon association with other molecules. In proteins these changes can be major, with large deviations in overall backbone structure, or they can be more subtle as in...
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| Autori principali: | , , |
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| Natura: | Artigo |
| Lingua: | Inglês |
| Pubblicazione: |
2013
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| Soggetti: | |
| Accesso online: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3540989/ https://ncbi.nlm.nih.gov/pubmed/23253130 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1111/cbdd.12051 |
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