Exploring the binding pathways of the 14-3-3ζ protein: Structural and free-energy profiles revealed by Hamiltonian replica exchange molecular dynamics with distancefield distance restraints

• Gabor Nagy,

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

  Current address: Department of Theoretical and Computational Biophysics, Max Planck Institute for Biophysical Chemistry, Göttingen, Germany

  Affiliation CEITEC-MU, Masaryk University, Brno, Czech Republic

  ⨯
• Chris Oostenbrink,

  Roles Conceptualization, Funding acquisition, Methodology, Writing – original draft, Writing – review & editing

  Affiliation Institute for Molecular Modeling and Simulation, University of Natural Resources and Life Sciences, Vienna, Austria

  ⨯
• Jozef Hritz

  Roles Conceptualization, Funding acquisition, Methodology, Project administration, Resources, Supervision, Validation, Writing – original draft, Writing – review & editing

  * E-mail: jozef.hritz@ceitec.muni.cz

  Affiliation CEITEC-MU, Masaryk University, Brno, Czech Republic

  ⨯