Binding free energy decomposition and multiple unbinding paths of buried ligands in a PreQ₁ riboswitch

• Guodong Hu,

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

  Affiliations Shandong Key Laboratory of Biophysics, Dezhou University, Dezhou, China, Department of Chemistry, University of Illinois at Chicago, Chicago, Illinois, United States of America

  ⨯
• Huan-Xiang Zhou

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

  * E-mail: hzhou43@uic.edu

  Affiliations Department of Chemistry, University of Illinois at Chicago, Chicago, Illinois, United States of America, Department of Physics, University of Illinois at Chicago, Chicago, Illinois, United States of America

  https://orcid.org/0000-0001-9020-0302

  ⨯