Published February 12, 2025 | Version v1
Dataset Open

Molecular principles of proton-coupled quinone reduction in the membrane-bound superoxide oxidase

Authors/Creators

  • 1. ROR icon Bernstein Center for Computational Neuroscience Berlin
  • 2. Stockholm University

Description

  • MD simulation setup, simulation script and short simulations
  • QM/MM setup, scripts and data
  • Example files for binding energy and pka calculations
  • Kinetic model
  • Experimental raw data

 

Files

Files (6.5 GB)

Name Size
md5:f6a24af141fd59cd1e1c815087e61623
6.5 GB Download