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"Molecular dynamics simulations using the drude polarizable force field on ..."
Jing Huang et al. (2018)
- Jing Huang, Justin A. Lemkul, Peter K. Eastman, Alexander D. MacKerell Jr.:
Molecular dynamics simulations using the drude polarizable force field on GPUs with OpenMM: Implementation, validation, and benchmarks. J. Comput. Chem. 39(21): 1682-1689 (2018)
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