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. Author manuscript; available in PMC: 2019 Feb 4.
Published in final edited form as: FEBS J. 2017 Sep 30;284(21):3662–3683. doi: 10.1111/febs.14263

Table 3.

Binding energy for the most stable conformation based on molecular dynamics of piscidin bound to DNA in the monomeric (nonaggregated) and dimeric (aggregated) states.

Binding energy (kcal·mol−1) ± SD
p1-DNA 81.4 ± 14.1
p3-DNA −1.4 ± 10.1
(p1-DNA)2 −69.6 ± 27.6
(p3-DNA)2 −189.3 ± 18.7