Free-Energy Landscapes of HBV Hexamer Closure Reveal Key Structural Features of the Transition

Zenodo (CERN European Organization for Nuclear Research) 2026 Dataset Open access

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Authors: Zixing Fan, Ànna Pavlova, Diane L. Lynch, Christophe J. Chipot, James C. Gumbart
DOI: 10.5281/zenodo.18894346
Cited by: 0

Abstract

The repository contains representative input files for the string method calculations and PathCV sampling simulations, as well as the resulting optimized string and path structures. The simulations were run with NAMD.

Fields of Study & Subjects

Protein Structure and Dynamics Hepatitis B Virus Studies Advanced Physical and Chemical Molecular Interactions

Publication details

Journal / source
Zenodo (CERN European Organization for Nuclear Research)
Publication date
6 March 2026
Language
EN
Document type
Dataset