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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Bibliografiska uppgifter
Huvudupphovsmän: Bai, Fang, Xu, Yechun, Chen, Jing, Liu, Qiufeng, Gu, Junfeng, Wang, Xicheng, Ma, Jianpeng, Li, Honglin, Onuchic, José N., Jiang, Hualiang
Materialtyp: Artigo
Språk:Inglês
Publicerad: National Academy of Sciences 2013
Ämnen:
Biological Sciences
Länkar: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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