Molecular modeling of protein function regions.

  title={Molecular modeling of protein function regions.},
  author={Carol DeWeese-Scott and John Moult},
  volume={55 4},
Experimental protein structures often provide extensive insight into the mode and specificity of small molecule binding, and this information is useful for understanding protein function and for the design of drugs. We have performed an analysis of the reliability with which ligand-binding information can be deduced from computer model structures, as opposed to experimentally derived ones. Models produced as part of the CASP experiments are used. The accuracy of contacts between protein model… CONTINUE READING