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Journal Article

An Extension of the Rigorous Base-unit Oriented Description of Nucleic Acid Structures

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Tung, C.-S., Soumpasis, D. M., & Hummer, G. (1994). An Extension of the Rigorous Base-unit Oriented Description of Nucleic Acid Structures. Journal of Biomolecular Structure and Dynamics, 11(6), 1327-1344. doi:10.1080/07391102.1994.10508071.

Cite as: https://hdl.handle.net/21.11116/0000-0009-2288-7
Our proposed description for DNA base/base-pair structures (1), though rigorous, does not satisfy some of the requirements as established at the Cambridge Workshop (2). Here, we propose a revised description for base/base-unit structures of nucleic acids. This new description is as rigorous and satisfies all the requirements (2). Following the original approach, the moment-of-inertia frame is still the choice of the internal coordinate system for a base/base-unit. The revised description has the minimum number of parameters (i.e., six parameters per rigid body) in the set. Besides regular Watson-Crick type of helices (e.g., A-DNA A-RNA B-DNA Z-DNA, etc.), the revised description also works for non-Watson-Crick, multiple stranded molecules (e.g., triplex, quadruplex, etc.) as well as parallel stranded molecules.