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"Comparison of the umbrella sampling and the double decoupling method in ..."

Naohiro Nishikawa et al. (2018)

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DOI: 10.1007/S10822-018-0166-2

access: closed

type: Journal Article

metadata version: 2020-05-30

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  - https://dblp.org/rec/journals/jcamd/NishikawaHWTB18
Naohiro Nishikawa, Kyungreem Han, Xiongwu Wu, Florentina Tofoleanu, Bernard R. Brooks:
Comparison of the umbrella sampling and the double decoupling method in binding free energy predictions for SAMPL6 octa-acid host-guest challenges. J. Comput. Aided Mol. Des. 32(10): 1075-1086 (2018)

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