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H. B. Macdonald

1 paper hereh-index 4388 citations6 works total

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  • q-bio.BM1

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1 paper

q-bio.BM2020

Best Practices for Alchemical Free Energy Calculations

Antonia S. J. S. Mey, Bryce Allen, Hannah E. Bruce Macdonald +11

Alchemical free energy calculations are a useful tool for predicting free energy differences associated with the transfer of molecules from one environment to another. The hallmark…

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