Understanding ligand-receptor non-covalent binding kinetics using molecular modeling.

نویسندگان

  • Zhiye Tang
  • Christopher C Roberts
  • Chia-En A Chang
چکیده

Kinetic properties may serve as critical differentiators and predictors of drug efficacy and safety, in addition to the traditionally focused binding affinity. However the quantitative structure-kinetics relationship (QSKR) for modeling and ligand design is still poorly understood. This review provides an introduction to the kinetics of drug binding from a fundamental chemistry perspective. We focus on recent developments of computational tools and their applications to non-covalent binding kinetics.

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عنوان ژورنال:
  • Frontiers in bioscience

دوره 22  شماره 

صفحات  -

تاریخ انتشار 2017