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Toward High-Throughput Predictive Modeling of Protein Binding/Unbinding Kinetics

One of the unaddressed challenges in drug discovery is that drug potency determined in vitro is not a reliable indicator of drug activity in vivo. Accumulated evidence suggests that in vivo activity is more strongly correlated with the binding/unbinding kinetics than the equilibrium thermodynamics o...

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Bibliografiska uppgifter
I publikationen:J Chem Inf Model
Huvudupphovsmän: Chiu, See Hong, Xie, Lei
Materialtyp: Artigo
Språk:Inglês
Publicerad: 2016
Ämnen:
Länkar:https://ncbi.nlm.nih.gov/pmc/articles/PMC5537004/
https://ncbi.nlm.nih.gov/pubmed/27159844
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jcim.5b00632
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