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An explicit-solvent hybrid QM and MM approach for predicting pKa of small molecules in SAMPL6 challenge

Crossref DOI link: https://doi.org/10.1007/s10822-018-0167-1

Published Online: 2018-10-01

Published Print: 2018-10

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

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