Bacterial Proteins 1 Chemical environment 1 Complex environments 1 Computer graphics 1 Density functional theory 1 Dynamics 1 Electrons 1 Exchange correlation energy 1 Formamides 1 Gaussian basis functions 1 Graphics Processing Unit 1 Hamiltonians 1 Heme 1 Hemeproteins 1 Iron 1 Kohn Sham equations 1 Molecular Dynamics Simulation 1 Molecular environment Molecules 1 Program processors 1 Quantum Theory 1 Quantum theory 1 Time dependent density functional theory 1 Water 1 bacterial protein 1 chemistry 1 electron 1 flavohemoprotein, Bacteria 1 formamide 1 formamide derivative 1