Işık, Mehtap http://orcid.org/0000-0002-6789-952X
Rustenburg, Ariën S. http://orcid.org/0000-0002-3422-0613
Rizzi, Andrea http://orcid.org/0000-0001-7693-2013
Gunner, M. R. http://orcid.org/0000-0003-1120-5776
Mobley, David L. http://orcid.org/0000-0002-1083-5533
Chodera, John D. http://orcid.org/0000-0003-0542-119X
Funding for this research was provided by:
National Institutes of Health (R01GM124270, P30CA008748, R01GM121505)
National Science Foundation (CHE 1352608)
Article History
Received: 16 October 2020
Accepted: 17 November 2020
First Online: 4 January 2021
Compliance with ethical standards
:
: JDC was a member of the Scientific Advisory Board for Schrödinger, LLC during part of this study, and is a current Scientific Advisory Board member for OpenEye Scientific and scientific advisor to Foresite Labs. DLM is a current member of the Scientific Advisory Board of OpenEye Scientific and an Open Science Fellow with Silicon Therapeutics. The Chodera laboratory receives or has received funding from multiple sources, including the National Institutes of Health, the National Science Foundation, the Parker Institute for Cancer Immunotherapy, Relay Therapeutics, Entasis Therapeutics, Vir Biotechnology, Silicon Therapeutics, EMD Serono (Merck KGaA), AstraZeneca, Vir Biotechnology, XtalPi, the Molecular Sciences Software Institute, the Starr Cancer Consortium, the Open Force Field Consortium, Cycle for Survival, a Louis V. Gerstner Young Investigator Award, The Einstein Foundation, and the Sloan Kettering Institute. A complete list of funding can be found at ExternalRef removed.