Empirical potentials and functions for protein folding and binding.

  title={Empirical potentials and functions for protein folding and binding.},
  author={S. Vajda and M. Sippl and J. Novotn{\'y}},
  journal={Current opinion in structural biology},
  volume={7 2},
  • S. Vajda, M. Sippl, J. Novotný
  • Published 1997
  • Chemistry, Medicine
  • Current opinion in structural biology
  • Simplified models and empirical potentials are being increasingly used for the analysis of proteins, frequently augmenting or replacing molecular mechanics approaches. Recent folding simulations have employed potentials that, in addition to terms assuring proper polypeptide geometry, include only two noncovalent effects-hydrogen bonding and hydrophobicity, with extremely simple approximations to the latter. The potentials that have been used in the free-energy ranking of protein-ligand… CONTINUE READING
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