Self-organization of polynucleotides: a molecular dynamics study

Sergey A. Mendeleev; Zakhar M. Frenkel; Alexander I. Melker; T. V. Vorobyeva

doi:10.1117/12.517805

10 October 2003 Self-organization of polynucleotides: a molecular dynamics study

Sergey A. Mendeleev, Zakhar M. Frenkel, Alexander I. Melker, T. V. Vorobyeva

Proceedings Volume 5127, Sixth International Workshop on Nondestructive Testing and Computer Simulations in Science and Engineering; (2003) https://doi.org/10.1117/12.517805
Event: Sixth International Workshop on Nondestructive Testing and Computer Simulations in Science and Engineering, 2002, St. Petersburg, Russian Federation

Abstract

In this contribution, we report on a study of the self-organization of polynucleotides. The process is computer simulated by the method of molecular dynamics. We investigated a set of polymers composed by one type of nucleotide (the amount of atoms ~3000) as well as a natural molecule phenylalanine t-RNA. Spontaneous transition of α-spiral structure into a globule was observed. In some cases the self-organization was similar to that obtained earlier for simple organic polymers and proteins. Special role of potentials in the self-organization of the polynucleotides was investigated.

Citation Download Citation

Sergey A. Mendeleev, Zakhar M. Frenkel, Alexander I. Melker, and T. V. Vorobyeva "Self-organization of polynucleotides: a molecular dynamics study", Proc. SPIE 5127, Sixth International Workshop on Nondestructive Testing and Computer Simulations in Science and Engineering, (10 October 2003); https://doi.org/10.1117/12.517805

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