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Free energy landscape for the binding process of Huperzine A to acetylcholinesterase
Drug-target residence time (t = 1/k(off), where k(off) is the dissociation rate constant) has become an important index in discovering better- or best-in-class drugs. However, little effort has been dedicated to developing computational methods that can accurately predict this kinetic parameter or r...
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| Główni autorzy: | , , , , , , , , , |
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| Format: | Artigo |
| Język: | Inglês |
| Wydane: |
National Academy of Sciences
2013
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| Hasła przedmiotowe: | |
| Dostęp online: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3600462/ https://ncbi.nlm.nih.gov/pubmed/23440190 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1073/pnas.1301814110 |
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