Schauperl, Michael https://orcid.org/0000-0001-5648-8170
Nerenberg, Paul S. https://orcid.org/0000-0002-9730-6983
Jang, Hyesu https://orcid.org/0000-0002-1697-2918
Wang, Lee-Ping https://orcid.org/0000-0003-3072-9946
Bayly, Christopher I. https://orcid.org/0000-0001-9145-6457
Mobley, David L. https://orcid.org/0000-0002-1083-5533
Gilson, Michael K. https://orcid.org/0000-0002-3375-1738
Funding for this research was provided by:
ACS | American Chemical Society Petroleum Research Fund (#58158-DNI6)
U.S. Department of Health & Human Services | NIH | National Institute of General Medical Sciences (GM61300)
Article History
Received: 30 October 2019
Accepted: 5 March 2020
First Online: 3 April 2020
Competing interests
: The authors declare the following competing interest(s): M.K.G. has an equity interest in and is a cofounder and scientific advisor of VeraChem LLC. All other authors declare no competing interests.