期刊
METHODS
卷 185, 期 -, 页码 39-48出版社
ACADEMIC PRESS INC ELSEVIER SCIENCE
DOI: 10.1016/j.ymeth.2020.01.021
关键词
Dynein; Molecular dynamics; Fluctuating finite element analysis; Multiscale simulation; Hierarchical biomechanics; Principal component analysis
资金
- BBSRC Japan Partnering Award
- Institute for Protein Research (Osaka University, Japan) [BB/M027953/1]
- EPSRC through a DTA
- BBSRC [BB/M027953/1] Funding Source: UKRI
This study introduces a novel approach using FFEA algorithm to study the mechanics of cytoplasmic dynein, demonstrating that the continuum representation obtained from atomistic MD simulations is sufficient to capture its principal dynamic properties.
Cytoplasmic dynein is responsible for intra-cellular transport in eukaryotic cells. Using Fluctuating Finite Element Analysis (FFEA), a novel algorithm that represents proteins as continuum viscoelastic solids subject to thermal noise, we are building computational tools to study the mechanics of these molecular machines. Here we present a methodology for obtaining the material parameters required to represent the flexibility of cytoplasmic dynein within FFEA from atomistic molecular dynamics (MD) simulations, and show that this continuum representation is sufficient to capture the principal dynamic properties of the motor.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据