Structure of a lignin peroxidase ligand access channel-atrazine complex after molecular dynamics simulation
| Main Author: | Ecker, János |
|---|---|
| Other Authors: | Fülöp, László |
| Format: | Dataset |
| Terbitan: |
Mendeley
, 2018
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| Subjects: | |
| Online Access: |
https:/data.mendeley.com/datasets/b2wn6fdcj4 |
Daftar Isi:
- 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.