Computational Science Study of Similarities and Differences between bacterial Ice-Nucleating Protein and Insect Anti-Freeze Protein

细菌冰核蛋白与昆虫抗冻蛋白异同的计算科学研究

• 批准号: 21540423
• 负责人: NADA Hiroki
• 金额: $ 2.83万
• 依托单位: National Institute of Advanced Industrial Science and Technology
• 依托单位国家: 日本
• 项目类别: Grant-in-Aid for Scientific Research (C)
• 财政年份: 2009
• 资助国家: 日本
• 起止时间: 2009 至 2011
• 项目状态: 已结题
• 来源: https://kaken.nii.ac.jp/grant/KAKENHI-PROJECT-21540423/
• 关键词: 結晶成長; 計算物理; 表面・界面; 機能性分子; 分子シミュレーション; 氷核タンパク質; 不凍タンパク質

In this project, similarities and differences between bacterial ice-nucleating protein(INP) and insect antifreeze protein(AFP) were studied using both computer simulation and ice crystal growth experiment. The results suggested that as a similarity, both INP and AFP are the proteins that significantly alter the anisotropy in ice crystal growth rate. The results also suggested that as a difference, INP binds selectively to ice basal planes, whereas AFP binds to both ice basal and prismatic planes. In conclusion, both INP and AFP are ice-binding proteins. However, the structure of INP is thought to be different from the structure of AFP.

在这个项目中，使用计算机模拟和冰晶体生长实验研究了细菌冰 - 核蛋白（INP）和昆虫抗冻蛋白（AFP）之间的相似性和差异。结果表明，作为一个相似性，INP和AFP都是蛋白质，它们会显着改变冰晶体生长速率的各向异性。结果还表明，作为差异，INP选择性地结合了冰基平面，而AFP与冰基和棱柱平面结合。总之，INP和AFP都是结合蛋白质。但是，INP的结构被认为与AFP的结构不同。

项目成果

A challenge to observe ice growth shape in molecular dynamics simulation

分子动力学模拟中观察冰生长形状的挑战

• 发表时间: 2011
• 期刊: Physics and Chemistry of Ice
• 作者: Y.Kubota;R.Akiyama;灘浩樹
• 通讯作者: 灘浩樹

Growth inhibition at the ice prismatic plane induced by a spruce budworm antifreeze protein : a molecular dynamics simulation study

云杉芽虫抗冻蛋白诱导的冰棱面生长抑制：分子动力学模拟研究

• DOI: 10.1039/c1cp21929d
• 发表时间: 2011
• 期刊: Physical Chemistry Chemical Physics
• 影响因子: 3.3
• 作者: F. Mikami;K. Matsuda;H. Kataura;Y. Maniwa;灘浩樹,古川義純
• 通讯作者: 灘浩樹,古川義純

Growth mechanism of tetrahydrofuran clathrate hydrate : a molecular dynamics study

四氢呋喃笼形水合物的生长机理：分子动力学研究

• 发表时间: 2010
• 作者: 灘浩樹

Studies on mechnanism of ice growth inhibition by antifreeze proteins

抗冻蛋白抑制冰生长机制的研究

• 发表时间: 2011
• 作者: 西村拓史;丸山智幸;灘浩樹
• 通讯作者: 灘浩樹

Growth mechanism of tetrahydrofuran clathrate hydrate

四氢呋喃笼形水合物的生长机理

• 发表时间: 2010
• 作者: 尾澤岬;黒岩健;池田昌司;宮崎州正;灘浩樹
• 通讯作者: 灘浩樹