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Such differences in alkaloid profile could have implications for biological activity, a possibility that we explore in the next sections
[DOI] [PubMed] [Google Scholar] 281.van Pel M
Integration of these cluster centers (with respect to the bulk solvent) allowed determining the binding free energy for the active site structure of 5.5 kcal/mol, whereas the surface bound complex was only of 1.4 kcal/mol
Kong, X.-J., Wu, S., Chen, T.-T., Yu, R.-Q
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