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doi: 10.1152/physiol.00014.2022 121 HongBVAgusJKTangXZhengJJRomoEZLeiSet al

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To collect the essential motions in the mh-Tyr structure before and after docking with the selected compounds using respective MD simulation trajectories, essential dynamics via principal component analysis was performed on the collected 10,000 frames from MD simulation trajectory by the projection of principal components (orthogonal eigenvectors) under default parameters in the Bio3D package

Bulletin of Experimental Biology and Medicine , 135(6), 590592

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