MDNA filament_dataset: H-NS filament molecular dynamics trajectories (s1s1, s2s2, FI)

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Authors: Thor van Heesch, Jocelyne Vreede
Cited by: 0

Abstract

Full trajectory dataset used by the MDNA filament tutorial for constructing H-NS protein filaments and fitting DNA along assembled structures. The dataset contains three trajectory groups: 0_s1s1, 1_s2s2, and FI (DNA-complex trajectories), with matching dry_*.xtc and dry_*.pdb files. This archive supports full-trajectory tutorial mode; a compact filament_minimal dataset is bundled in-package for default lightweight usage. s1s1: H-NS dimer trajectories in the s1–s1 interface configuration (used as one source of segment conformations).s2s2: H-NS dimer trajectories in the s2–s2 interface configuration (complementary source of segment conformations).FI: trajectories of the fully inserted H-NS DNA-binding-domain (DBD) in the DNA minor groove used when placing/aligning DNA onto the assembled filament.

Fields of Study & Subjects

Protein Structure and Dynamics Bacterial Genetics and Biotechnology Diffusion and Search Dynamics

Publication details

Journal / source
Figshare
Publication date
26 February 2026
Language
EN
Document type
Dataset