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LNCS 2950 - Aspects of Molecular Computing (Frontmatter Pages)

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156 Max H. Garzon, Kiranchand V. Bobba, and Bryan P. Hyde<br />

rate 1, and are therefore more efficient for a given encoding length. The result <strong>of</strong><br />

the computation only needs to re-interpreted in terms <strong>of</strong> the assigned mapping<br />

used to transduce the original problem’s input into DNA strands. Therefore,<br />

given the nature <strong>of</strong> the inspiring biochemistry, analogous codes for hybridization<br />

distance are more appropriately called error-preventing codes, because the minimum<br />

separation in terms <strong>of</strong> hybridization distance prevents errors, instead <strong>of</strong><br />

enabling error detection and correction once they have occurred.<br />

2.3 Gibbs Energy<br />

Ideally, the Gibbs energy released in the hybridization process between strand<br />

pairs is the most appropriate criterion <strong>of</strong> quality for a code set for experiments in<br />

vitro. Although hybridization reactions in vitro are governed by well established<br />

rules <strong>of</strong> local interaction between base pairings, difficulties arise in trying to<br />

extend these rules to even short oligonucleotides (less than 150-mers) in a variety<br />

<strong>of</strong> conditions [28]. Hence an exhaustive search <strong>of</strong> strand sets <strong>of</strong> words maximally<br />

separated in a given coding space is infeasible, even for the small size <strong>of</strong> oligonucleotides<br />

useful in DNA computing.<br />

Computation <strong>of</strong> the Gibbs energy thus relies on approximations based on<br />

various assumptions about the type <strong>of</strong> interactions between neighboring bonds.<br />

Various models have been proposed for the range <strong>of</strong> oligonucleotides used in<br />

DNA-based computing, major among which are the nearest-neighbor model and<br />

the staggered-zipper model [28]. We use an extension <strong>of</strong> the nearest neighbor<br />

model proposed by [8] that computes optimal alignments between DNA oligonucleotides<br />

using a dynamic programming algorithm. There is evidence that this<br />

calculation <strong>of</strong> the Gibbs energy, while not as computationally efficient as the<br />

h-distance, is a good predictor <strong>of</strong> actual hybridization in the range <strong>of</strong> 20- to<br />

60-mers in PCR reactions in vitro [5].<br />

3 Error-Preventing Codes<br />

Codes designs can now be described based on the tensor product operation and<br />

compared with codes obtained using the template method [2]. Both types <strong>of</strong><br />

codes are obtained by first finding good biner sets (a template or a seed set)<br />

which is then used to generate a set <strong>of</strong> BNA strings. These codes are then<br />

transformed into code sets for DNA computation in real test tubes, so the basic<br />

question becomes how they map to codeword sets in DNA and how their quality<br />

(as measured by the parameter τ) maps to the corresponding reaction conditions<br />

and DNA ensemble behavior.<br />

3.1 The Template Method<br />

The template method requires the use <strong>of</strong> a template n-biner T which is as far<br />

from itself as possible in terms <strong>of</strong> h-measure, i.e., |T,T| >> 0, and an errorcorrecting<br />

code C with words <strong>of</strong> length n. The bits are mapped to DNA words

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