Decoding the Identification Mechanism of an SAM-III Riboswitch on Ligands through Multiple Independent Gaussian-Accelerated Molecular Dynamics Simulations

Jianzhong Chen, Qingkai Zeng, Wei Wang, Haibo Sun, Guodong Hu. Decoding the Identification Mechanism of an SAM-III Riboswitch on Ligands through Multiple Independent Gaussian-Accelerated Molecular Dynamics Simulations. Journal of Chemical Information and Computer Sciences, 62(23):6118-6132, 2022. [doi]

Authors

Jianzhong Chen

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Qingkai Zeng

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Wei Wang

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Haibo Sun

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Guodong Hu

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