For instance, in our computational simulation study of the HIV-1 gp120 mutants, the observed common or opposite motional directions of the large concerted motions between mutants and reference wild-type gp120 in CD4-complexed or unliganded state suggest that unliganded 375 S/W mutant has a strong preference for transition towards the CD4-bound state, whereas the CD4-free mutant 423 I/P in the CD4-bound state has a strong trend to transition towards the unliganded state.
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Protein dynamics and motions in relation to their functions: several case studies and the underlying mechanisms.
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