Article
Molecular dynamics simulations of the unfolding of beta(2)-microglobulin and its variants.
Protein engineering - 1 Aug 2003
Ma Buyong, Nussinov Ruth
Abstract excerpt
In this study, we examined the unfolding processes of native beta(2)-microglobulin and two related variants, one with an N-terminal hexapeptide deletion DeltaN6 and another with Lys57-Asp58 cleavage, by high-temperature molecular dynamics simulations. Three simulation models were used, molecular dynamics (MD) simulations with explicit water solvation, MD simulations with the CHARMM EEF1 force field and Langevin...
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