遇见数据集

Molecular Dynamics data: Dual inhibitory activity of bioactive compounds from Chlorella vulgaris against COX-1 and NIK

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Zenodo2025-06-13 更新2026-05-26 收录
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File specification COX-1.zip: MD data of 3 complexes (MXM, C8, and C4)NIK.zip: MD data of 3 complexes (OWC, C8, and C4) How to use a trajectory This data can be used using GROMACS 2022 or a higher version. The conformational changes can be visualized using PyMOL.If you have any questions, please feel free to contact the authors.

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2025-06-13
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