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Description
In order to analyze the multidimensional conformational landscape, we performed PCA of MD trajectories to identify the dominant modes of protein motions (principal components) in the apo and nap simulation states

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Structural basis for the binding of the anticancer compound 6-(7-nitro-2,1,3-benzoxadiazol-4-ylthio)hexanol to human glutathione S-transferases
Nishikawa H, Koyama S

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