Current status of the AMOEBA polarizable force field.

@article{Ponder2010CurrentSO,
  title={Current status of the AMOEBA polarizable force field.},
  author={J. Ponder and Chuanjie Wu and Pengyu Y. Ren and V. Pande and J. Chodera and M. Schnieders and I. Haque and D. Mobley and D. Lambrecht and R. Distasio and M. Head-Gordon and G. N. Clark and M. E. Johnson and T. Head-Gordon},
  journal={The journal of physical chemistry. B},
  year={2010},
  volume={114 8},
  pages={
          2549-64
        }
}
Molecular force fields have been approaching a generational transition over the past several years, moving away from well-established and well-tuned, but intrinsically limited, fixed point charge models toward more intricate and expensive polarizable models that should allow more accurate description of molecular properties. The recently introduced AMOEBA force field is a leading publicly available example of this next generation of theoretical model, but to date, it has only received… Expand
Dipeptide Aggregation in Aqueous Solution from Fixed Point-Charge Force Fields
Pairwise-additive and polarizable atomistic force fields for molecular dynamics simulations of proteins.
  • Justin A. Lemkul
  • Physics, Medicine
  • Progress in molecular biology and translational science
  • 2020
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