Computational design of ligand-binding proteins with high affinity and selectivity

  title={Computational design of ligand-binding proteins with high affinity and selectivity},
  author={Christine E. Tinberg and Sagar D. Khare and Jiayi Dou and Lindsey Doyle and Jorgen W. Nelson and Alberto Schena and Wojciech Jankowski and Charalampos G. Kalodimos and Kai Johnsson and Barry L. Stoddard and David Baker},
The ability to design proteins with high affinity and selectivity for any given small molecule is a rigorous test of our understanding of the physiochemical principles that govern molecular recognition. Attempts to rationally design ligand-binding proteins have met with little success, however, and the computational design of protein–small-molecule interfaces remains an unsolved problem. Current approaches for designing ligand-binding proteins for medical and biotechnological uses rely on… CONTINUE READING
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