An insight into structure and stability of DNA in ionic liquids from molecular dynamics simulation and experimental studiesElectronic supplementary information (ESI) available: Details of force field parameterization and validation of [C2bim]Br, [C4bim]Br and [C6bim]Br. Fig. S1 illustrates DNA structure in different simulation systems. Fig. S2 shows the root mean square fluctuations (RMSFs) of DNA bases in neat and hydrated [C4bim]Br. Table S1 gives the number of [C4bim]Br and water molecules ar

• Main Authors: Jumbri, K, Abdul Rahman, M. B, Abdulmalek, E, Ahmad, H, Micaelo, N. M
• Format: Journal Article
• Language: English
• Published: 18.06.2014

Molecular dynamics simulation and biophysical analysis were employed to reveal the characteristics and the influence of ionic liquids (ILs) on the structural properties of DNA. Both computational and experimental evidence indicate that DNA retains its native B-conformation in ILs. Simulation data sh...