Predicting Monovalent Ion Correlation Effects in Nucleic Acids.

ABSTRACT: Ion correlation and fluctuation can play a potentially significant role in metal ion-nucleic acid interactions. Previous studies have focused on the effects for multivalent cations. However, the correlation and fluctuation effects can be important also for monovalent cations around the nucleic acid surface. Here, we report a model, gMCTBI, that can explicitly treat discrete distributions of both monovalent and multivalent cations and can account for the correlation and fluctuation effects for the cations in the solution. The gMCTBI model enables investigation of the global ion binding properties as well as the detailed discrete distributions of the bound ions. Accounting for the ion correlation effect for monovalent ions can lead to more accurate predictions, especially in a mixed monovale

SUBMITTER: Sun LZ 

PROVIDER: S-EPMC6705202 | biostudies-literature | 2019 Aug

REPOSITORIES: biostudies-literature