Mesoscale modelling with Fluctuating Finite Element Analysis (FFEA)

使用脉动有限元分析 (FFEA) 进行介观建模

• 批准号: EP/S030697/1
• 负责人: Sarah Harris
• 金额: $ 2.45万
• 依托单位: University of Leeds
• 依托单位国家: 英国
• 项目类别: Research Grant
• 财政年份: 2019
• 资助国家: 英国
• 起止时间: 2019 至 无数据
• 项目状态: 已结题
• 来源: https://gtr.ukri.org/projects?ref=EP%2FS030697%2F1
• 关键词: Mesoscale; modelling; Fluctuating; Finite; Element

There is a community consensus that "Structural biology is transitioning from a largely molecular perspective to a much wider range of length scales", as a result of developments in 3D cellular imaging tools such as cryo-Electron Microscopy and Tomography. Fluctuating Finite Element Analysis (FFEA) is a novel mesoscale biomolecular simulation tool developed by our research team at Leeds which is specifically designed for biomolecular modelling based on structural data from cryo-EM and cryo-ET. Through this travel grant I will build collaborations with key computational (Amaro), experimental (Chiu and Fire) and theoretical (Benham) groups to broaden the range of biological questions addressable with FFEA by performing preliminary calculations on cytoplasmic dynein and extrachromosomal DNA (eccDNA). The aim is to build an international community of FFEA users by ensuring usability and compatibility with other codes.

有一个社区的共识是，“结构生物学正在从主要的分子视角过渡到更广泛的长度尺度”，这是由于3D细胞成像工具的发展，如冷冻电子显微镜和断层扫描。波动有限元分析（FFEA）是一种新的中尺度生物分子模拟工具，由我们的研究小组在利兹，这是专门设计的生物分子建模的基础上，从冷冻EM和冷冻ET的结构数据。通过这次旅行补助金，我将与关键的计算（Amaro），实验（Chiu和Fire）和理论（Benham）小组建立合作，通过对细胞质动力蛋白和染色体外DNA（eccDNA）进行初步计算，扩大FFEA可解决的生物学问题的范围。其目的是通过确保可用性和与其他守则的兼容性，建立一个FFEA用户的国际社区。

项目成果

New variants and in silico analyses in GRK1 associated Oguchi disease.

• DOI: 10.1002/humu.24140
• 发表时间: 2021-03
• 期刊: Human mutation
• 影响因子: 3.9
• 作者: Poulter JA;Gravett MSC;Taylor RL;Fujinami K;De Zaeytijd J;Bellingham J;Rehman AU;Hayashi T;Kondo M;Rehman A;Ansar M;Donnelly D;Toomes C;Ali M;UK Inherited Retinal Disease Consortium, Genomics England Research Consortium;De Baere E;Leroy BP;Davies NP;Henderson RH;Webster AR;Rivolta C;Zeitz C;Mahroo OA;Arno G;Black GCM;McKibbin M;Harris SA;Khan KN;Inglehearn CF
• 通讯作者: Inglehearn CF