How well does a restrained electrostatic potential (RESP) model perform in calculating conformational energies of organic and biological molecules?

@article{Wang2000HowWD,
  title={How well does a restrained electrostatic potential (RESP) model perform in calculating conformational energies of organic and biological molecules?},
  author={Junmei Wang and Piotr Cieplak and Peter A. Kollman},
  journal={Journal of Computational Chemistry},
  year={2000},
  volume={21},
  pages={1049-1074}
}
In this study, we present conformational energies for a molecular mechanical model (Parm99) developed for organic and biological molecules using the restrained electrostatic potential (RESP) approach to derive the partial charges. This approach uses the simple “generic” force field model (Parm94), and attempts to add a minimal number of extra Fourier components to the torsional energies, but doing so only when there is a physical justification. The results are quite encouraging, not only for… CONTINUE READING
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