한빛사논문
- 조회420
Jae Young Lee1, Jae Gyung Lee1, Giseok Yun1, Chanseok Lee2, Young-Joo Kim2, Kyung Soo Kim1, Tae Hwi Kim1, Do-Nyun Kim1,2,3,*
1Department of Mechanical Engineering, Seoul National University, 1 Gwanak-ro, Gwanak-gu, Seoul 08826, Korea
2Institute of Advanced Machines and Design, Seoul National University, 1 Gwanak-ro, Gwanak-gu, Seoul 08826, Korea
3Institute of Engineering Research, Seoul National University, 1 Gwanak-ro, Gwanak-gu, Seoul 08826, Korea
*Corresponding
Abstract
Structural DNA nanotechnology plays an ever-increasing role in advanced biomolecular applications. Here, we present a computational method to analyze structured DNA assemblies rapidly at near-atomic resolution. Both high computational efficiency and molecular-level accuracy are achieved by developing a multiscale analysis framework. The sequence-dependent relative geometry and mechanical properties of DNA motifs are characterized by the all-atom molecular dynamics simulation and incorporated into the structural finite element model successfully without significant loss of atomic information. The proposed method can predict the three-dimensional shape, equilibrium dynamic properties, and mechanical rigidities of monomeric to hierarchically assembled DNA structures at near-atomic resolution without adjusting any model parameters. The calculation takes less than only 15 min for most origami-scale DNA nanostructures consisting of 7000–8000 base-pairs. Hence, it is expected to be highly utilized in an iterative design–analysis–revision process for structured DNA assemblies.
논문정보
- Research article
- 2021년 01월 (BRIC 등록일 2021-12-14)
- 국내 연구진
- 바이오·의료융합 > 바이오센싱 및 나노바이오물질
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