Active Learning of the Conformational Ensemble of Proteins Using Maximum Entropy VAMPNets

Author:

Kleiman Diego E.1ORCID,Shukla Diwakar1234ORCID

Affiliation:

1. Center for Biophysics and Quantitative Biology, University of Illinois at Urbana─Champaign, Urbana, Illinois 61801, United States

2. Department of Chemical and Biomolecular Engineering, University of Illinois at Urbana─Champaign, Urbana, Illinois 61801, United States

3. Department of Bioengineering, University of Illinois at Urbana─Champaign, Urbana, Illinois 61801, United States

4. Department of Plant Biology, University of Illinois at Urbana─Champaign, Urbana, Illinois 61801, United States

Funder

Division of Molecular and Cellular Biosciences

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

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