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本帖最后由 金鹏 于 2012-10-14 15:19 编辑
These projects fold on NVIDIA Fermi GPUs. STATS: Point: 2387.1 ; timeout: 6.9; deadline:9.3;
These project perform folding of "Protein G", which is a large multi-domain surface protein of group G Streptococcus. It is one of proteins which can selectively bind antibodies. Therefore, it is widely used in purification of antibodies. It is also a model protein used for understanding the general mechanisms underlying protein folding. For example, Protein L ( projects 8001 and 8004) and Protein G have the same structure but their folding mechanism are suspected to be very different. In these projects, we study various mutants of protein G to understand its folding mechanism and elucidate the role played by protein structure and sequence in folding.
Manager for this FAH project
Dr. Diwakar Shukla is a postdoctoral scholar in the lab of Vijay Pande at Stanford University. Dr. Shukla's research focuses on using large-scale simulation methods to unravel the mysteries of Alzheimer's Disease. We are continuing to use Folding@home in order to learn more about Alzheimer's Disease, in particular to discover new therapeutics, such as this recent work from our group.
斯德哥尔摩时间10月10日11点45分,2012年诺贝尔化学奖揭晓,两位美国科学家罗伯特·莱夫科维茨(Robert J. Lefkowitz)和布莱恩·科比尔卡(Brian K. Kobilka)因“G蛋白偶联受体”研究领域的杰出贡献而获奖。
生物通报道:斯德哥尔摩时间10月10日11点45分,2012年诺贝尔化学奖揭晓,两位美国科学家罗伯特·莱夫科维茨(Robert J. Lefkowitz)和布莱恩·科比尔卡(Brian K. Kobilka)因“G蛋白偶联受体”研究领域的杰出贡献而获奖。
Robert J. Lefkowitz
他研究了最大、最重要且最容易在治疗上达到的G蛋白偶联受体(GPCR)系统,这一受体系统控制着细胞和器官度药物和激素的应答。
Brian K. Kobilka
美国斯坦福大学医学院的教授,分子和细胞生理学和医学博士。他也是ConfometRx,一家专注于G-蛋白偶联受体的生物技术公司的共同创办人。2011年入选美国国家科学院院士。
G蛋白偶联受体最新研究成果:
今年Kobilka教授领导组成的国际研究团队一连公布了三篇论文,报道了G蛋白偶联受体(GPCR)作用复合物的详细晶体结构,这一发现被称为是一项真正具有突破意义的成果。
G蛋白偶联受体(GPCR)是与G蛋白有信号连接的一大类受体家族,是最著名的药物靶标分子,调控着细胞对激素,神经递质的大部分应答,以及视觉,嗅觉,味觉等。目前世界药物市场上至少有三分之一的小分子药物是GPCR的激活剂或者拮抗剂,据报道,目前上市的药物中,前50种最畅销的药物20%就属于G蛋白受体相关药物,比如充血性心力衰竭药物Coreg,高血压药物Cozaar,乳腺癌药物Zoladex等等。
由于GPCR属于膜蛋白——穿插细胞膜多达7次,而且构象形态多,因此其结构生物学分析不容易开展,而这篇文章完成了GPCR跨膜信号作用复合物的X-射线晶体结构,实现了许多人未能完成的任务,正如密苏里州大学的Stephen Sprang所说的那样:这是一篇真正具有突破意义的文章,多年以来,我们这行里的人都在梦想得到这个结构图,因为它最终会告诉我们GPCR受体是如何发挥作用的。
在这篇文章中,研究人员利用X线晶体成像技术(X-ray crystallographic)对与G蛋白偶联的β2肾上腺素能受体复合物进行了研究,据报道,G蛋白是一种由三个不同亚单位组成的蛋白,它很容易与GPCR蛋白分开,并且解离成三个独立的亚单位,而且这个复合物的大小大约是β2肾上腺素能受体蛋白的2倍。如果要拿到β2肾上腺素能受体蛋白——G蛋白复合物的晶体结构首先就得开发出纯化该复合物并且让它稳定存在的新技术,比如让复合物与抗体结合,或者对数千种不同的结晶条件进行系列实验等等。
另外一篇Nature文章则介绍了利用“肽酰胺氢-氘交换质谱”对这一信号作用复合物的蛋白动态所做的探测研究,同期Nature杂志还发表了特写文章“It's all about the structure”,称要确定这些复合物的结构特别具有挑战性。
不过也有科学家表示,由于这项研究实验采用的是经过人工改造的,并且与抗体结合的GPCR蛋白复合体,这可能不能反应天然蛋白的真实情况。对此,Kobilka等人则认为他们已经做过蛋白功能实验,实验结果表明他们使用的蛋白与天然蛋白在功能上没有差异。
领导这项研究的是著名的结构生物学,斯坦福大学Brian K. Kobilka教授,他曾2007年与另外一位科学家Raymond C. Stevens,利用T4溶菌酶融合蛋白方法解析了第一个非视紫红质GPCR晶体结构:人β2肾上腺素受体,这篇发表在Sciene上的文章被引上千次,后来他还独立地通过抗体片段介导法解析了人β2肾上腺素受体的结构。
GPU3 projects 8043 8044 8045 8054貌似适合GTS 450跑,温度低PPD高,貌似比高温甜包8018 8020 跑出的PPD还高
从我这里看基本上920+核心的GTS 450都能跑出11K+的PPD,970核心GTX560TI 跑出21K,910核心GTX560跑出17K,不知道其他兄弟是不是这样?
想尝鲜的兄弟们在快捷方式里加入()注意-前有个空格- GTS 450/970
- [19:45:35] Project: 8043 (Run 0, Clone 0, Gen 14)
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- [19:45:35] Assembly optimizations on if available.
- [19:45:35] Entering M.D.
- [19:45:37] Tpr hash work/wudata_04.tpr: 2440470543 2619376807 3783636941 2982459434 4179850462
- [19:45:37] GPU device info: vendor=0 device=0 name=<NA> match=0
- [19:45:37] Working on GROningen MAchine for Chemical Simulation
- [19:45:37] Client config found, loading data.
- [19:45:38] Starting GUI Server
- [19:46:38] Setting checkpoint frequency: 500000
- [19:46:38] Completed 3 out of 50000000 steps (0%).
- [19:49:33] Completed 500000 out of 50000000 steps (1%).
- [19:52:28] Completed 1000000 out of 50000000 steps (2%).
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- [20:01:12] Completed 2500000 out of 50000000 steps (5%).
- [20:04:07] Completed 3000000 out of 50000000 steps (6%).
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- [20:09:56] Completed 4000000 out of 50000000 steps (8%).
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- [20:18:41] Completed 5500000 out of 50000000 steps (11%).
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- [20:33:16] Completed 8000000 out of 50000000 steps (16%).
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- [20:39:05] Completed 9000000 out of 50000000 steps (18%).
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- [20:47:50] Completed 10500000 out of 50000000 steps (21%).
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复制代码- GTX 560TI/970
- [00:25:24] Project: 8044 (Run 0, Clone 5, Gen 6)
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- [00:25:24] Assembly optimizations on if available.
- [00:25:24] Entering M.D.
- [00:25:26] Tpr hash work/wudata_05.tpr: 3592265159 2826331802 4001606071 3628022431 329629487
- [00:25:26] GPU device info: vendor=0 device=0 name=<NA> match=0
- [00:25:26] Working on Gallium Rubidium Oxygen Manganese Argon Carbon Silicon
- [00:25:26] Client config found, loading data.
- [00:25:26] Starting GUI Server
- [00:26:27] Setting checkpoint frequency: 500000
- [00:26:27] Completed 3 out of 50000000 steps (0%).
- [00:28:08] Completed 500000 out of 50000000 steps (1%).
- [00:29:49] Completed 1000000 out of 50000000 steps (2%).
- [00:31:31] Completed 1500000 out of 50000000 steps (3%).
- [00:33:33] Completed 2000000 out of 50000000 steps (4%).
- [00:35:19] Completed 2500000 out of 50000000 steps (5%).
- [00:37:00] Completed 3000000 out of 50000000 steps (6%).
- [00:38:42] Completed 3500000 out of 50000000 steps (7%).
- [00:40:23] Completed 4000000 out of 50000000 steps (8%).
- [00:42:05] Completed 4500000 out of 50000000 steps (9%).
- [00:43:46] Completed 5000000 out of 50000000 steps (10%).
- [00:45:29] Completed 5500000 out of 50000000 steps (11%).
- [00:47:11] Completed 6000000 out of 50000000 steps (12%).
- [00:48:52] Completed 6500000 out of 50000000 steps (13%).
- [00:50:34] Completed 7000000 out of 50000000 steps (14%).
- [00:52:15] Completed 7500000 out of 50000000 steps (15%).
- [00:53:57] Completed 8000000 out of 50000000 steps (16%).
- [00:55:38] Completed 8500000 out of 50000000 steps (17%).
- [00:57:19] Completed 9000000 out of 50000000 steps (18%).
- [00:59:01] Completed 9500000 out of 50000000 steps (19%).
- [01:00:42] Completed 10000000 out of 50000000 steps (20%).
- [01:02:23] Completed 10500000 out of 50000000 steps (21%).
- [01:04:04] Completed 11000000 out of 50000000 steps (22%).
- [01:05:46] Completed 11500000 out of 50000000 steps (23%).
- [01:07:27] Completed 12000000 out of 50000000 steps (24%).
- [01:09:08] Completed 12500000 out of 50000000 steps (25%).
- [01:10:50] Completed 13000000 out of 50000000 steps (26%).
- [01:12:31] Completed 13500000 out of 50000000 steps (27%).
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