NPY conformation dynamics.
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Standard MD simulations. Here all the titratable side chains were in their standard protonation states, as chosen at the beginning of the simulation. During the final 110 ns of each of the three MD simulations (lasting 500 ns), the α-helical segment (Glu15–Ile31), was conserved whereas the N- and C-terminal regions were rather disordered. A summary of the three analyses is offered in S5 Table and S64–S69 Figs in S3 File. (ZIP)
创建时间：
2026-03-12
