Biomaterial Database

[Method for conformation calculations of large fragments of nucleic acids. I. Models for conformational energy surface ribose and 2'-deoxyribose]. 1981

Iu N Vorob'ev

A simple method for conformational calculations for large polynucleotide fragments is proposed. The full conformational energy of a polynucleotide fragment is considered to be a sum of the selfmonomers conformational energy and the intermonomers interaction energy. It is proposed to calculate the last term using the group-group interaction potentials according to the three center model of nucleotide (the base, the ribose, the phosphate group). Fast calculation of selfmonomer conformation energy is proposed to the performed on the base of their preliminary constructed semianalytical models of conformational surface. The semianalytical models of conformational energy surface and the dependence of valence angles from pseudorotation parameters, which have been calculated by the atom atom potentials method are given in this communication for ribose and 2'-deoxyribose.

UI	MeSH Term	Description	Entries
D008433	Mathematics	The deductive study of shape, quantity, and dependence. (From McGraw-Hill Dictionary of Scientific and Technical Terms, 6th ed)	Mathematic
D008722	Methods	A series of steps taken in order to conduct research.	Techniques,Methodological Studies,Methodological Study,Procedures,Studies, Methodological,Study, Methodological,Method,Procedure,Technique
D008954	Models, Biological	Theoretical representations that simulate the behavior or activity of biological processes or diseases. For disease models in living animals, DISEASE MODELS, ANIMAL is available. Biological models include the use of mathematical equations, computers, and other electronic equipment.	Biological Model,Biological Models,Model, Biological,Models, Biologic,Biologic Model,Biologic Models,Model, Biologic
D009690	Nucleic Acid Conformation	The spatial arrangement of the atoms of a nucleic acid or polynucleotide that results in its characteristic 3-dimensional shape.	DNA Conformation,RNA Conformation,Conformation, DNA,Conformation, Nucleic Acid,Conformation, RNA,Conformations, DNA,Conformations, Nucleic Acid,Conformations, RNA,DNA Conformations,Nucleic Acid Conformations,RNA Conformations
D003855	Deoxyribose		2-Deoxyribose,2 Deoxyribose
D012266	Ribose	A pentose active in biological systems usually in its D-form.	D-Ribose,D Ribose
D046911	Macromolecular Substances	Compounds and molecular complexes that consist of very large numbers of atoms and are generally over 500 kDa in size. In biological systems macromolecular substances usually can be visualized using ELECTRON MICROSCOPY and are distinguished from ORGANELLES by the lack of a membrane structure.	Macromolecular Complexes,Macromolecular Compounds,Macromolecular Compounds and Complexes,Complexes, Macromolecular,Compounds, Macromolecular,Substances, Macromolecular