Parameters for the solvated KcsA-LAB-TEA, when the LAB-TEA is placed inside the channel cavity without K+-ion
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Parameters for the solvated KcsA-LAB-TEA. These KcsA-LAB-TEA systems were solvated by truncated octahedron TIP3PBOX, using the leap program in AMBER20. The LAB-TEA is placed inside the channel cavity. The simulation is performed without K<sup>+</sup>-ion.
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Zenodo创建时间：
2023-08-07
