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Drude polarizable force field for aliphatic ketones and aldehydes, and their associated acyclic carbohydrates.
Meagan C. Small
Asaminew H. Aytenfisu
Fang-Yu Lin
Xibing He
Alexander D. MacKerell Jr.
Published in:
J. Comput. Aided Mol. Des. (2017)
Keyphrases
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force field
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