"Reducing the bias and uncertainty of free energy estimates by using ..."

Conrad Shyu, F. Marty Ytreberg (2009)

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DOI: 10.1002/JCC.21231

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type: Journal Article

metadata version: 2020-04-01

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Conrad Shyu, F. Marty Ytreberg:
Reducing the bias and uncertainty of free energy estimates by using regression to fit thermodynamic integration data. J. Comput. Chem. 30(14): 2297-2304 (2009)

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