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Impact of domain knowledge on blinded predictions of binding energies by alchemical free energy calculations
Antonia S J S Mey, Jordi Juárez, Jiménez, Julien Michel
doi: https://doi.org/10.1101/150474
Antonia S J S Mey
EaStCHEM School of Chemistry, University of Edinburgh, David Brewster Road, Edinburgh EH9 3FJ, United Kingdom
Jordi Juárez
EaStCHEM School of Chemistry, University of Edinburgh, David Brewster Road, Edinburgh EH9 3FJ, United Kingdom
Jiménez
EaStCHEM School of Chemistry, University of Edinburgh, David Brewster Road, Edinburgh EH9 3FJ, United Kingdom
Julien Michel
EaStCHEM School of Chemistry, University of Edinburgh, David Brewster Road, Edinburgh EH9 3FJ, United Kingdom
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Posted June 16, 2017.
Impact of domain knowledge on blinded predictions of binding energies by alchemical free energy calculations
Antonia S J S Mey, Jordi Juárez, Jiménez, Julien Michel
bioRxiv 150474; doi: https://doi.org/10.1101/150474
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