Structure of a lignin peroxidase ligand access channel-atrazine complex after molecular dynamics simulation

2019-07-19T09:40:54Z (GMT) by János Ecker László Fülöp
State and contacts of the lignin peroxidase ligand access channel-atrazine complex after 5 ns molecular dynamics simulation. The simulation was performed with Nanoscale Molecular Dynamics (NAMD) application (CHARMM36 force field). The input structure for the simulation was created by molecular docking.