Published March 21, 2024
| Version v1
Dataset
Open
EcDXR structures used in the thesis (Schuck, 2024)
Description
1onp_fom_mg_nadph_a.pdb (monomer, chain A) was used for the MD simulations to explore conformational changes and select a structure for molecular docking, while ecdxr_dimer.pdb was used for the MD simulations of the virtual products.