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Comparison of the umbrella sampling and the double decoupling method in binding free energy predictions for SAMPL6 octa-acid host–guest challenges

Crossref DOI link: https://doi.org/10.1007/s10822-018-0166-2

Published Online: 2018-10-15

Published Print: 2018-10

Update policy: https://doi.org/10.1007/springer_crossmark_policy

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