About the Authors
- Faruck Morcos
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Affiliations Interdisciplinary Center for Network Science and Applications, Notre Dame, Indiana, United States of America, Department of Computer Science and Engineering, University of Notre Dame, Notre Dame, Indiana, United States of America
- Santanu Chatterjee
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Affiliations Interdisciplinary Center for Network Science and Applications, Notre Dame, Indiana, United States of America, Department of Computer Science and Engineering, University of Notre Dame, Notre Dame, Indiana, United States of America
- Christopher L. McClendon
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Affiliation Graduate Group in Biophysics and Department of Pharmaceutical Chemistry, University of California, San Francisco, San Francisco, California, United States of America
- Paul R. Brenner
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Affiliation Center for Research Computing, University of Notre Dame, Notre Dame, Indiana, United States of America
- Roberto López-Rendón
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Affiliation Facultad de Ciencias, Universidad Autónoma del Estado de México, Toluca, México
- John Zintsmaster
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Affiliation Department of Chemistry and Biochemistry, University of Notre Dame, Notre Dame, Indiana, United States of America
- Maria Ercsey-Ravasz
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Affiliations Interdisciplinary Center for Network Science and Applications, Notre Dame, Indiana, United States of America, Department of Physics, University of Notre Dame, Notre Dame, Indiana, United States of America
- Christopher R. Sweet
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Affiliations Interdisciplinary Center for Network Science and Applications, Notre Dame, Indiana, United States of America, Center for Research Computing, University of Notre Dame, Notre Dame, Indiana, United States of America
- Matthew P. Jacobson
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Affiliation Graduate Group in Biophysics and Department of Pharmaceutical Chemistry, University of California, San Francisco, San Francisco, California, United States of America
- Jeffrey W. Peng
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* E-mail: jpeng@nd.edu (JWP); izaguirr@nd.edu (JAI)
Affiliation Department of Chemistry and Biochemistry, University of Notre Dame, Notre Dame, Indiana, United States of America
- Jesús A. Izaguirre
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* E-mail: jpeng@nd.edu (JWP); izaguirr@nd.edu (JAI)
Affiliations Interdisciplinary Center for Network Science and Applications, Notre Dame, Indiana, United States of America, Department of Computer Science and Engineering, University of Notre Dame, Notre Dame, Indiana, United States of America
Competing Interests
MPJ is a consultant to Schrodinger LLC.
Author Contributions
Conceived and designed the experiments: FM CRS MPJ JWP JAI. Performed the experiments: FM SC CLM PRB RLR JZ MER. Analyzed the data: FM SC CLM PRB RLR JZ MER CRS. Wrote the paper: FM SC CLM PRB RLR MPJ JWP JAI.