Application of a coarse-grained model for DNA to homo- and heterogeneous melting equilibria

作者：Tito Nicholas B; Stubbs John M^*

来源：Chemical Physics Letters, 2010, 485(4-6): 354-359.

DOI：10.1016/j.cplett.2009.12.079

Configurational-bias Monte Carlo simulations were carried out on deoxyribonucleic acid (DNA) decamers using a coarse-grained molecular model. The effects of single mutations on the melting transition were investigated as were heterogeneous systems with immobilization of one strand on a surface, both with and without a spacer. The destabilizing effect of an internal mutation is attributed to a lack of cooperativity, which acts through a hydrogen bonding nucleotide's restriction of the conformational freedom of neighboring bases. A surface-oligomer spacer is necessary for duplex stability with the destabilizing effect of the surface coinciding with the volume it excludes.

• 出版日期2010-1-26