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[新闻] FAH关于新冠计算成果首篇论文预发表!

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发表于 2020-7-1 12:59:57 | 显示全部楼层 |阅读模式
其中提到对于棘突蛋白(S蛋白)作用机制的模拟累积到了0.1s之多!作为对比,最新几代专业旗舰卡的openMM模拟效率一般为百纳秒每天的级别
文章地址:https://www.biorxiv.org/content/10.1101/2020.06.27.175430v1.full.pdf

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参与人数 2基本分 +20 维基拼图 +30 收起 理由
zhouxiaobo + 30 新闻已经发布!
金鹏 + 20 很给力!

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发表于 2020-7-1 14:05:47 | 显示全部楼层
https://foldingathome.org/2020/06/26/the-sars-cov-2-nucleocapsid-protein-is-dynamic-disordered-and-phase-separates-with-rna/

THE SARS-COV-2 NUCLEOCAPSID PROTEIN IS DYNAMIC, DISORDERED, AND PHASE SEPARATES WITH RNA.June 26, 2020
Related Articles
The SARS-CoV-2 nucleocapsid protein is dynamic, disordered, and phase separates with RNA.
bioRxiv. 2020 Jun 18;:
Authors: Cubuk J, Alston JJ, Incicco JJ, Singh S, Stuchell-Brereton MD, Ward MD, Zimmerman MI, Vithani N, Griffith D, Wagoner JA, Bowman GR, Hall KB, Soranno A, Holehouse AS
Abstract
The SARS-CoV-2 nucleocapsid (N) protein is an abundant RNA binding protein that plays a variety of roles in the viral life cycle including replication, transcription, and genome packaging. Despite its critical and multifunctional nature, the molecular details that underlie how N protein mediates these functions are poorly understood. Here we combine single-molecule spectroscopy with all-atom simulations to uncover the molecular details that contribute to the function of SARS-CoV-2 N protein. N protein contains three intrinsically disordered regions and two folded domains. All three disordered regions are highly dynamic and contain regions of transient helicity that appear to act as local binding interfaces for protein-protein or protein-RNA interactions. The two folded domains do not significantly interact with one another, such that full-length N protein is a flexible and multivalent RNA binding protein. As observed for other proteins with similar molecular features, we found that N protein undergoes liquid-liquid phase separation when mixed with RNA. Polymer models predict that the same multivalent interactions that drive phase separation also engender RNA compaction. We propose a simple model in which symmetry breaking through specific binding sites promotes the formation of metastable single-RNA condensate, as opposed to large multi-RNA phase separated droplets. We speculate that RNA compaction to form dynamic single-genome condensates may underlie the early stages of genome packaging. As such, assays that measure how compounds modulate phase separation could provide a convenient tool for identifying drugs that disrupt viral packaging.
PMID: 32587966 [PubMed]



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发表于 2020-7-1 21:32:18 | 显示全部楼层
Folding和Rosetta都出成果了啊,希望WCG也能给力点
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