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"Lessons learned from comparing molecular dynamics engines on the SAMPL5 ..."

Michael R. Shirts et al. (2017)

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DOI: 10.1007/S10822-016-9977-1

access: closed

type: Journal Article

metadata version: 2024-05-07

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Michael R. Shirts, Christoph Klein, Jason M. Swails, Jian Yin, Michael K. Gilson, David L. Mobley, David A. Case, Ellen D. Zhong:
Lessons learned from comparing molecular dynamics engines on the SAMPL5 dataset. J. Comput. Aided Mol. Des. 31(1): 147-161 (2017)

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