2014 journal article

Progress in molecular modelling of DNA materials

MOLECULAR SIMULATION, 40(10-11), 777–783.

By: N. Li n, H. Kim n, J. Nash n, M. Lim n & Y. Yingling n

co-author countries: United States of America 🇺🇸
author keywords: molecular modelling; DNA materials; computer simulations
Source: Web Of Science
Added: August 6, 2018

AbstractThe unique molecular recognition properties of DNA molecule, which store genetic information in cells, are responsible for the rise of DNA nanotechnology. In this article, we review the recent advances in atomistic and coarse-grained force fields along with simulations of DNA-based materials, as applied to DNA–nanoparticle assemblies for controlled material morphology, DNA–surface interactions for biosensor development and DNA origami. Evidently, currently available atomistic and coarse-grained representations of DNA are now at the stage of successfully reproducing and explaining experimentally observed phenomena. However, there is a clear need for the development of atomistic force fields which are robust at long timescales and in the improvement of the coarse-grained models.Keywords:: molecular modellingDNA materialscomputer simulations AcknowledgementsThe authors wish to thank the National Science Foundation grant CMMI-1150682 and the NSF's Research Triangle MRSEC (DMR-1121107) for the support. J.A.N. was supported by the National Science Foundation Graduate Research Fellowship DGE-0946818.