Boltzmann's principle, knowledge-based mean fields and protein folding. An approach to the computational determination of protein structures

@article{Sippl1993BoltzmannsPK,
  title={Boltzmann's principle, knowledge-based mean fields and protein folding. An approach to the computational determination of protein structures},
  author={Manfred J. Sippl},
  journal={Journal of computer-aided molecular design},
  year={1993},
  volume={7 4},
  pages={
          473-501
        }
}
The data base of known protein structures contains a tremendous amount of information on protein-solvent systems. Boltzmann's principle enables the extraction of this information in the form of potentials of mean force. The resulting force field constitutes an energetic model for protein-solvent systems. We outline the basic physical principles of this approach to protein folding and summarize several techniques which are useful in the development of knowledge-based force fields. Among the… CONTINUE READING
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