relation: https://khub.utp.edu.my/scholars/8998/
title: Solvation free energies of nucleic acid bases in ionic liquids
creator: Jumbri, K.
creator: Micaelo, N.M.
creator: Abdul Rahman, M.B.
description: The solvation free energies of five nucleic acid bases in CnbimBr (where n = 2, 4, 6) ionic liquids (ILs) were computed using the Bennett acceptance ratio (BAR) method employing molecular dynamics simulations. The computed free energies using BAR were in agreement with other methods. The large and negative predicted free energies of the bases in ILs indicated that the bases were better solvated in the ILs rather than in water. Hydrogen bonding interactions between polar sites of the bases and ILs� ions significantly contributed to the solvation mechanism. © 2016 Informa UK Limited, trading as Taylor & Francis Group.
publisher: Taylor and Francis Ltd.
date: 2017
type: Article
type: PeerReviewed
identifier:   Jumbri, K. and Micaelo, N.M. and Abdul Rahman, M.B.  (2017) Solvation free energies of nucleic acid bases in ionic liquids.  Molecular Simulation, 43 (1).  pp. 19-27.  ISSN 08927022     
relation: https://www.scopus.com/inward/record.uri?eid=2-s2.0-84988642789&doi=10.1080%2f08927022.2016.1227075&partnerID=40&md5=cec139d40ef68ad3490c25294000787c
relation: 10.1080/08927022.2016.1227075
identifier: 10.1080/08927022.2016.1227075