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Structure-Kinetic Relationships that Control the Residence Time of Drug-Target Complexes: Insights from Molecular Structure and Dynamics

Time-dependent target occupancy is a function of both the thermodynamics and kinetics of drug-target interactions. However, while the optimization of thermodynamic affinity through approaches such as structure-based drug design is now relatively straight forward, less is understood about the molecul...

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Veröffentlicht in:Curr Opin Chem Biol
Hauptverfasser: Lu, Hao, Iuliano, James N., Tonge, Peter J.
Format: Artigo
Sprache:Inglês
Veröffentlicht: 2018
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Online Zugang:https://ncbi.nlm.nih.gov/pmc/articles/PMC6066427/
https://ncbi.nlm.nih.gov/pubmed/29986213
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.cbpa.2018.06.002
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