This ΔΔG of 1.0 kcal mol −1 is highly significant (see Supplementary Fig. 4 and Supplementary Discussion for discussion of error bars for each system), and suggests that coordination of water by the PKC C1b-ligand system could impact its free energy landscape and affect its positioning on or in the membrane.
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Molecular dynamics simulations reveal ligand-controlled positioning of a peripheral protein complex in membranes.
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