核小体和核小体核心颗粒的微秒级分子动力学模拟轨迹
Trajectories of microsecond molecular dynamics simulations of nucleosomes and nucleosome core particles.
作者信息
Shaytan Alexey K, Armeev Grigoriy A, Goncearenco Alexander, Zhurkin Victor B, Landsman David, Panchenko Anna R
机构信息
National Center for Biotechnology Information, NLM, NIH, Bethesda, MD 20894, United States; Biology Department, Lomonosov Moscow State University, Moscow 119991, Russia.
Biology Department, Lomonosov Moscow State University, Moscow 119991, Russia.
出版信息
Data Brief. 2016 May 6;7:1678-81. doi: 10.1016/j.dib.2016.04.073. eCollection 2016 Jun.
Abstract
We present here raw trajectories of molecular dynamics simulations for nucleosome with linker DNA strands as well as minimalistic nucleosome core particle model. The simulations were done in explicit solvent using CHARMM36 force field. We used this data in the research article Shaytan et al., 2016 [1]. The trajectory files are supplemented by TCL scripts providing advanced visualization capabilities.
摘要
我们在此展示了带有连接DNA链的核小体以及简约核小体核心颗粒模型的分子动力学模拟原始轨迹。这些模拟是在显式溶剂中使用CHARMM36力场进行的。我们在研究文章Shaytan等人，2016 [1]中使用了这些数据。轨迹文件由提供高级可视化功能的TCL脚本补充。
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本文引用的文献
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