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

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NIAID Data Ecosystem2026-03-10 收录
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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.

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2018-04-15
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