Balanced Protein–Water Interactions Improve Properties of Disordered Proteins and Non-Specific Protein Association

@inproceedings{Best2014BalancedPI,
  title={Balanced Protein–Water Interactions Improve
Properties of Disordered Proteins and Non-Specific Protein Association},
  author={Robert B. Best and Wenwei Zheng and Jeetain Mittal},
  booktitle={Journal of chemical theory and computation},
  year={2014}
}
Some frequently encountered deficiencies in all-atom molecular simulations, such as nonspecific protein-protein interactions being too strong, and unfolded or disordered states being too collapsed, suggest that proteins are insufficiently well solvated in simulations using current state-of-the-art force fields. To address these issues, we make the simplest possible change, by modifying the short-range protein-water pair interactions, and leaving all the water-water and protein-protein… CONTINUE READING
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to Balanced Protein − Water Interactions Improve Properties of Disordered Proteins and Non - Speci fi c Protein Association

R. B. Best, W. Zheng, J. Mittal
  • J . Chem . Theory Comput .
  • 2014

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