Profiling charge complementarity and selectivity for binding at the protein surface.

@article{Sulea2003ProfilingCC,
  title={Profiling charge complementarity and selectivity for binding at the protein surface.},
  author={Traian Sulea and Enrico O. Purisima},
  journal={Biophysical journal},
  year={2003},
  volume={84 5},
  pages={2883-96}
}
A novel analysis and representation of the protein surface in terms of electrostatic binding complementarity and selectivity is presented. The charge optimization methodology is applied in a probe-based approach that simulates the binding process to the target protein. The molecular surface is color coded according to calculated optimal charge or according to charge selectivity, i.e., the binding cost of deviating from the optimal charge. The optimal charge profile depends on both the protein… CONTINUE READING