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LNCS 2950 - Aspects of Molecular Computing (Frontmatter Pages)

LNCS 2950 - Aspects of Molecular Computing (Frontmatter Pages)

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An Algorithm for Testing Structure Freeness <strong>of</strong> Biomolecular Sequences 273<br />

Pro<strong>of</strong>. (1)Theset<strong>of</strong>hairpins|x) such that x ∈ W (α : i, β : j) corresponds to<br />

the set <strong>of</strong> all hairpins which could have the boundary configuration v1. However,<br />

since there exist infinitely many such x’s, it is not clear whether the minimum<br />

<strong>of</strong> E( |x) ) exists or not.<br />

Recall that n is the length <strong>of</strong> each string in S and L is the constant introduced<br />

in Section 2.2. Let x ∈ W (α : i, β : j) such that |x| >L+5n. Since<br />

|x| > 5n, wecanwritex = α[i, n]α ′ γβ ′ β[1,j]forsomeα ′ ,β ′ ∈ S + and γ ∈ S.<br />

Then,wehavethatx ′ = α[i, n]α ′ β ′ β[1,j]isalsoinW (α : i, β : j) andthat<br />

|x| > |x ′ | >L.Sincethevalues<strong>of</strong>h1 for |x) and|x ′ ) are equal to each other<br />

and h2(|x|) ≥ h2(|x ′ |) holds (recall that h2 is weakly monotonically increasing),<br />

we have E(|x ′ )) ≤ E(|x)). Therefore, we can conclude that E(|x)) takes the<br />

minimum value for some x ∈ W (α:i, β:j) with|x| ≤L +5n. Thus,thefirstequation<br />

holds. Note that the value <strong>of</strong> E(|x)) depends only on the loop length and<br />

the four bases x[1],x[2],x[|x|−1],x[|x|]. Since, for each loop length, all possible<br />

combinations <strong>of</strong> those four bases can be computed in O(|S|) time,minH(v1) can<br />

also be computed in O(|S|) time.<br />

(2)Theset<strong>of</strong>2-cycles |−→ x|<br />

|y|<br />

such that x ∈ W (α : i, γ : k) andy∈ W (δ : l, β : j)<br />

←−<br />

corresponds to the set <strong>of</strong> all 2-cycles which could have boundary configuration<br />

(v1,v2). However, since there exist infinitely many such x’s and y’s, it is not<br />

clear whether the minimum <strong>of</strong> E( |−→ x|<br />

|y|<br />

)existsornot.<br />

←−<br />

Let x ∈ W (α : i, γ : k) andy∈ W (δ : l, β : j). Suppose that |x| > 6n. Since<br />

|x| > 6n, wecanwritex = α[i, n]α ′ ηγ ′ γ[1,k]forsomeα ′ ,γ ′ ∈ S + and η ∈ S.<br />

Then, we have that x ′ = α[i, n]α ′ γ ′ γ[1,j]isalsoinW (α:i, γ:k) andthat|x| ><br />

|x ′ | > 5n. If|y| ≤5n, sety ′ = y. Otherwise, we can write y = δ[l, n]δ ′ ρβ ′ β[1,j]<br />

for some δ ′ ,β ′ ∈ S + and ρ ∈ S, andsety ′ = δ[l, n]δ ′ β ′ β[1,j]. Then, we have<br />

y ′ ∈ W (δ :l, β :j). Note that the loop length <strong>of</strong> |−→ x|<br />

|y<br />

←− | is greater than that <strong>of</strong> |−→ x ′ |<br />

|y ′ |<br />

.<br />

←−<br />

Further, note that the loop length mismatch <strong>of</strong> |−→ x|<br />

|y<br />

←− | is greater than or equal<br />

to that <strong>of</strong> |−→ x ′ |<br />

|y ′<br />

←− | .Sincethevalues<strong>of</strong>s1, b1 and e1 for |−→ x|<br />

|y|<br />

are equal to those for<br />

←−<br />

−→ ′ | x |<br />

|y ′<br />

←− | , respectively, we have E( |−→ x ′ |<br />

|y ′<br />

←− | ) ≤ E( |−→ x|<br />

|y<br />

←− | ) (recall that b2, e2 and e3 are weakly<br />

monotonically increasing).<br />

In case that |y| > 6n, in a similar manner, we can show the existence <strong>of</strong><br />

x ′ ∈ W (α:i, γ:k) andy ′ ∈ W (δ:l, β:j) such that E( |−→ x ′ |<br />

|y ′<br />

←− | ) ≤ E( |−→ x|<br />

|y|<br />

).<br />

←−<br />

Therefore, we can conclude that E( |−→ x|<br />

|y|<br />

) takes the minimum value for some<br />

←−<br />

x ∈ W (α : i, γ : k) andy∈ W (δ : l, β : j) such that |x| ≤ 6n and |y| ≤ 6n.

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