Please use this identifier to cite or link to this item: https://hdl.handle.net/10356/151757
Title: Coarse-grained simulation of mechanical properties of single microtubules with micrometer length
Authors: Zha, Jinyin
Zhang, Yuwei
Xia, Kelin
Gräter, Frauke
Xia, Fei
Keywords: Science::Biological sciences
Issue Date: 2021
Source: Zha, J., Zhang, Y., Xia, K., Gräter, F. & Xia, F. (2021). Coarse-grained simulation of mechanical properties of single microtubules with micrometer length. Frontiers in Molecular Biosciences, 7, 632122-. https://dx.doi.org/10.3389/fmolb.2020.632122
Project: M4081842
RG31/18
RG109/19
MOE2018-T2-1-033
Journal: Frontiers in Molecular Biosciences
Abstract: Microtubules are one of the most important components in the cytoskeleton and play a vital role in maintaining the shape and function of cells. Because single microtubules are some micrometers long, it is difficult to simulate such a large system using an all-atom model. In this work, we use the newly developed convolutional and K-means coarse-graining (CK-CG) method to establish an ultra-coarse-grained (UCG) model of a single microtubule, on the basis of the low electron microscopy density data of microtubules. We discuss the rationale of the micro-coarse-grained microtubule models of different resolutions and explore microtubule models up to 12-micron length. We use the devised microtubule model to quantify mechanical properties of microtubules of different lengths. Our model allows mesoscopic simulations of micrometer-level biomaterials and can be further used to study important biological processes related to microtubule function.
URI: https://hdl.handle.net/10356/151757
ISSN: 2296-889X
DOI: 10.3389/fmolb.2020.632122
Rights: © 2021 Zha, Zhang, Xia, Gräter and Xia. This is an open-access article distributed under the terms of the Creative Commons Attribution License (CC BY). The use, distribution or reproduction in other forums is permitted, provided the original author(s) and the copyright owner(s) are credited and that the original publication in this journal is cited, in accordance with accepted academic practice. No use, distribution or reproduction is permitted which does not comply with these terms.
Fulltext Permission: open
Fulltext Availability: With Fulltext
Appears in Collections:SPMS Journal Articles

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