Structural and Thermodynamic Impact of Oncogenic Mutations on the Nucleosome Core Particle

This upload includes six all-atom molecular dynamics trajectories and corresponding topology files used in the study “Structural and Thermodynamic Impact of Oncogenic Mutations on the Nucleosome Core Particle.” Each trajectory is 6 μs long (saved every 240 ps) and excludes water molecules (dry trajectories).

The datasets are organized as follows:

• 1KX5: wild-type nucleosome systems
• E76K: H2BE76K mutant systems
• R92T: H4R92T mutant systems

Simulations were conducted at either 0.15 M or 2.4 M NaCl concentrations.

Please cite the original publication when using these trajectories.