Including residual contact information into replica-exchange MD simulations significantly enriches native-like conformations

• Arthur Voronin,

  Roles Conceptualization, Data curation, Formal analysis, Investigation, Methodology, Software, Validation, Visualization, Writing – original draft, Writing – review & editing

  Affiliations Steinbuch Centre for Computing, Karlsruhe Institute of Technology, Eggenstein-Leopoldshafen, Germany, Department of Physics, Karlsruhe Institute of Technology, Karlsruhe, Germany

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• Marie Weiel,

  Roles Data curation, Formal analysis, Investigation, Methodology, Validation, Visualization, Writing – review & editing

  Affiliations Steinbuch Centre for Computing, Karlsruhe Institute of Technology, Eggenstein-Leopoldshafen, Germany, Department of Physics, Karlsruhe Institute of Technology, Karlsruhe, Germany

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• Alexander Schug

  Roles Conceptualization, Funding acquisition, Methodology, Project administration, Resources, Supervision, Visualization, Writing – review & editing

  * E-mail: al.schug@fz-juelich.de

  Affiliations Institute for Advanced Simulation, Jülich Supercomputing Center, Jülich, Germany, Faculty of Biology, University of Duisburg-Essen, Duisburg, Germany

  https://orcid.org/0000-0002-0534-502X

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