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The Nucleic Acid Package (NUPACK) is a growing software suite for the analysis and design of nucleic acid systems. [1] Jobs can be run online on the NUPACK webserver or NUPACK source code can be downloaded and compiled locally for non-commercial academic use. [2] NUPACK algorithms are formulated in terms of nucleic acid secondary structure.
From the very early stages of structural studies of DNA by X-ray diffraction and biochemical means, molecular models such as the Watson-Crick nucleic acid double helix model were successfully employed to solve the 'puzzle' of DNA structure, and also find how the latter relates to its key functions in living cells.
Nucleic acid design can be used to create nucleic acid complexes with complicated secondary structures such as this four-arm junction. These four strands associate into this structure because it maximizes the number of correct base pairs, with A's matched to T's and C's matched to G's. Image from Mao, 2004. [1]
Biomolecular structure is the intricate folded, three-dimensional shape that is formed by a molecule of protein, DNA, or RNA, and that is important to its function.The structure of these molecules may be considered at any of several length scales ranging from the level of individual atoms to the relationships among entire protein subunits.
Nucleic acid secondary structure is generally divided into helices (contiguous base pairs), and various kinds of loops (unpaired nucleotides surrounded by helices). Frequently these elements, or combinations of them, are further classified into additional categories including, for example, tetraloops , pseudoknots , and stem-loops .
At neutral pH, nucleic acids are highly charged as each phosphate group carries a negative charge. [7] Both DNA and RNA are built from nucleoside phosphates, also known as mononucleotide monomers, which are thermodynamically less likely to combine than amino acids. Phosphodiester bonds, when hydrolyzed, release a considerable amount of free energy.
DNA origami object from viral DNA visualized by electron tomography. [1] The map is at the top and atomic model of the DNA colored below. (Deposited in EMDB EMD-2210) . DNA origami is the nanoscale folding of DNA to create arbitrary two- and three-dimensional shapes at the nanoscale.
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