Article
Molecular dynamics study of the stability of staphylococcal nuclease mutants: component analysis of the free energy difference of denaturation.
Biochimica et biophysica acta - 21 Apr 1993
Yamaotsu N, Moriguchi I, Kollman P A, Hirono S
Abstract excerpt
The stability of two mutants G88V (Gly-88-->Val) and A69T (Ala-69-->Thr) of staphylococcal nuclease was analyzed by molecular dynamics simulations. The calculated free energy differences of denaturation for G88V and A69T were -1.1 and -2.8 kcal/mol, respectively. These values are in good agreement with the experimental values. The free energy differences divided into electrostatic and van der Waals components...
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