About the Authors
- Jingtao Lu
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Contributed equally to this work with: Jingtao Lu, Michael-Rock Goldsmith
Affiliation Oak Ridge Institute for Science and Education, Oak Ridge, Tennessee, United States of America
- Michael-Rock Goldsmith
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Contributed equally to this work with: Jingtao Lu, Michael-Rock Goldsmith
Current address: Chemical Computing Group, Montreal, Quebec, Canada
Affiliation National Exposure Research Laboratory, US-Environmental Protection Agency, Research Triangle Park, North Carolina, United States of America
- Christopher M. Grulke
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* E-mail: grulke.chris@epa.gov (CMG); tan.cecilia@epa.gov (YMT)
Current address: Lockheed Martin, Research Triangle Park, North Carolina, United States of America
Affiliation National Exposure Research Laboratory, US-Environmental Protection Agency, Research Triangle Park, North Carolina, United States of America
- Daniel T. Chang
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Current address: Chemical Computing Group, Montreal, Quebec, Canada
Affiliation National Exposure Research Laboratory, US-Environmental Protection Agency, Research Triangle Park, North Carolina, United States of America
- Raina D. Brooks
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Current address: Department of Epidemiology, University of Alabama, Birmingham, Alabama, United States of America
Affiliation National Exposure Research Laboratory, US-Environmental Protection Agency, Research Triangle Park, North Carolina, United States of America
- Jeremy A. Leonard
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Affiliation Oak Ridge Institute for Science and Education, Oak Ridge, Tennessee, United States of America
- Martin B. Phillips
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Current address: Minnesota Department of Health, Saint Paul, Minnesota, United States of America
Affiliation Oak Ridge Institute for Science and Education, Oak Ridge, Tennessee, United States of America
- Ethan D. Hypes
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Affiliations National Exposure Research Laboratory, US-Environmental Protection Agency, Research Triangle Park, North Carolina, United States of America, Department of Environmental Engineering, North Carolina State University, Raleigh, North Carolina, United States of America
- Matthew J. Fair
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Affiliations National Exposure Research Laboratory, US-Environmental Protection Agency, Research Triangle Park, North Carolina, United States of America, Department of Physics and Physical Oceanography, University of North Carolina at Wilmington, Wilmington, North Carolina, United States of America
- Rogelio Tornero-Velez
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Affiliation National Exposure Research Laboratory, US-Environmental Protection Agency, Research Triangle Park, North Carolina, United States of America
- Jeffre Johnson
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Affiliation National Exposure Research Laboratory, US-Environmental Protection Agency, Las Vegas, Nevada, United States of America
- Curtis C. Dary
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Current address: Insiliconomics, Birchwood, Wisconsin, United States of America
Affiliation National Exposure Research Laboratory, US-Environmental Protection Agency, Las Vegas, Nevada, United States of America
- Yu-Mei Tan
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* E-mail: grulke.chris@epa.gov (CMG); tan.cecilia@epa.gov (YMT)
Affiliation National Exposure Research Laboratory, US-Environmental Protection Agency, Research Triangle Park, North Carolina, United States of America
Competing Interests
I have read the journal's policy and the authors of this manuscript have the following competing interests: MRG and DTC are employed by the Chemical Computing Group in Montreal, Canada, the publisher of the Molecular Operating Environment (MOE) software. The United States Environmental Protection Agency has provided administrative review and approved this manuscript for publication. The views expressed in this manuscript are those of the authors and do not necessarily reflect the views or policies of the Agency. The other authors declare they have no actual or potential competing financial interests.
Author Contributions
Conceived and designed the experiments: JL MRG CMG DTC RDB JAL MBP EDH MJF JJ RTV CCD YMT. Analyzed the data: JL MRG CMG DTC RDB JAL MBP EDH MJF JJ RTV CCD YMT. Wrote the paper: JL MRG CMG DTC RDB JAL MBP EDH MJF JJ RTV CCD YMT.