Please use this identifier to cite or link to this item: http://scholarbank.nus.edu.sg/handle/10635/142757
Title: COMPUTER-AIDED DESIGN AND STATISTICAL THERMODYNAMICS OF DNA BIPEDAL NANOWALKERS
Authors: TEE SHERN REN
ORCID iD:   orcid.org/0000-0003-2701-005X
Keywords: DNA, nanomechanics, statistical thermodynamics, molecular modeling, nanodevices
Issue Date: 3-Jan-2018
Citation: TEE SHERN REN (2018-01-03). COMPUTER-AIDED DESIGN AND STATISTICAL THERMODYNAMICS OF DNA BIPEDAL NANOWALKERS. ScholarBank@NUS Repository.
Abstract: DNA bipedal nanowalkers biomimetically generate sustained directional movement from chemical energy at the molecular scale, while allowing easier rational analysis and design than natural protein-based motors. In this thesis, three-dimensional molecular modelling is used to elucidate key bias-generating structural features in these nanowalkers. The foot-track binding complexes of two recent nanowalkers are shown to distinguish between forward and backward force. We then examine the force-exerting ability of DNA nanostructures in bipedal full-walker simulations and shearing vs unzipping bias. In both cases, coordination via intramolecular tension is qualitatively confirmed, but the apparent flexibility of DNA introduces quantitative effects worthy of further examination. Finally, a novel thermal molecular switch constructed of DNA is characterized, revealing the potential for novel heat-actuated molecular architectures. The switch can drive molecular Ericsson or Stirling cycles, with work output potentially exceeding 60 pN nm per cycle.
URI: http://scholarbank.nus.edu.sg/handle/10635/142757
Appears in Collections:Ph.D Theses (Open)

Show full item record
Files in This Item:
File Description SizeFormatAccess SettingsVersion 
TeeSR.pdf12.99 MBAdobe PDF

OPEN

NoneView/Download

Page view(s)

46
checked on Aug 9, 2018

Download(s)

26
checked on Aug 9, 2018

Google ScholarTM

Check


Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.