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. 2014 Jan 8;140(2):025101. doi: 10.1063/1.4855735

Figure 14.

Figure 14

The UNRES energy change during the formation of the second loop (3rd kink) of protein A, in a generic UNRES simulation. The energy needed to excite the kink is around 7 kcal/mol. The kink formation takes place very rapidly, during a small number of UNRES steps.