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SAMPL6 Octanol–water partition coefficients from alchemical free energy calculations with MBIS atomic charges

Published Online: 2020-01-20

Published Print: 2020-04

Authors

Riquelme, Maximiliano

Vöhringer-Martinez, Esteban https://orcid.org/0000-0003-1785-4558
Funding

Funding for this research was provided by:

Fondecyt (1160193)
License Information

Text and Data Mining valid from 2020-01-20

Version of Record valid from 2020-01-20
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Article History

Received: 1 October 2019

Accepted: 8 January 2020

First Online: 20 January 2020

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