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SAMPL6 challenge results from $$pK_a$$ predictions based on a general Gaussian process model

Published Online: 2018-10-15

Published Print: 2018-10

Authors

Bannan, Caitlin C. http://orcid.org/0000-0003-2777-1174
Mobley, David L.

Skillman, A. Geoffrey
Funding

Funding for this research was provided by:

Division of Chemistry (CHE 1352608)

National Institute of General Medical Sciences (1R01GM108889-01)

Division of Advanced Cyberinfrastructure (ACI-1547580)

OpenEye Scientific Software Summer Intern Program
License Information

Text and Data Mining valid from 2018-10-01

Version of Record valid from 2018-10-01
More Information

Article History

Received: 2 June 2018

Accepted: 28 September 2018

First Online: 15 October 2018

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