Structure of a lignin peroxidase ligand access channel-atrazine complex after molecular dynamics simulation
收藏doi.org2025-01-16 收录
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http://doi.org/10.17632/b2wn6fdcj4.2
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资源简介：
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.
经过5纳秒分子动力学模拟后，木质素过氧化物酶配体通道与阿特拉津复合物的状态及接触信息。该模拟采用纳米级分子动力学（NAMD）应用程序（CHARMM36力场）进行。模拟输入结构由分子对接创建。
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Mendeley Data
