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The SAMPL5 host–guest challenge: computing binding free energies and enthalpies from explicit solvent simulations by the attach-pull-release (APR) method

Crossref DOI link: https://doi.org/10.1007/s10822-016-9970-8

Published Online: 2016-09-16

Published Print: 2017-01

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

Authors

Yin, Jian

Henriksen, Niel M.

Slochower, David R.

Gilson, Michael K.
Funding

Funding for this research was provided by:

National Institutes of Health (R01GM061300, U01GM111528)

Air Force Office of Scientific Research (FA9550-12-1-644 0414)
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Text and Data Mining valid from 2016-09-16

Version of Record valid from 2016-09-16
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Article History

Received: 2 July 2016

Accepted: 9 September 2016

First Online: 16 September 2016

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