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发表于 2013-11-9 12:54:41
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本帖最后由 nekoko 于 2013-11-9 13:04 编辑
GPUGRID产出的论文:
T. Giorgino, I. Buch and G. De Fabritiis, Visualizing the induced binding of SH2-phosphopeptide, J. Chem. Theory Comput., in press (2012)
I. Buch, S. K. Sadiq and G. De Fabritiis, Optimized potential of mean force calculations of standard binding free energy, J. Chem. Theory Comput., 7, 1765–1772 (2011)
I. Buch, M. J. Harvey, T. Giorgino, D. P. Anderson and G. De Fabritiis, High-throughput all-atom molecular dynamics simulations using distributed computing, J. Chem. Inf. and Mod. 50, 397 (2010)
S. K. Sadiq and G. De Fabritiis, Explicit solvent dynamics and energetics of HIV-1 protease flap-opening and closing, Proteins 78, 2873 (2010)
J. Selent, F. Sanz, M. Pastor and G. De Fabritiis, Induced Effects of Sodium Ions on Dopaminergic G-Protein Coupled Receptors, PLOS Computational Biology, 6, e1000884 (2010)
I. Buch, T. Giorgino and G. De Fabritiis, Complete reconstruction of an enzyme-inhibitor binding process by molecular dynamics simulations, Proc. Natl. Acad. Sci. USA 108(25), 10184-10189 (2011)
I. Buch, S. K. Sadiq and G. De Fabritiis, Optimized potential of mean force calculations of standard binding free energy, J. Chem. Theory Comput., 7, 1765–1772 (2011)
I. Buch, M. J. Harvey, T. Giorgino, D. P. Anderson and G. De Fabritiis, High-throughput all-atom molecular dynamics simulations using distributed computing, J. Chem. Inf. and Mod. 50, 397 (2010)
T. Giorgino and G. De Fabritiis, A high-throughput steered molecular dynamics study on the free energy profile of ion permeation through gramicidin A, J. Chem. Theory Comput.,7 , 1943–1950 (2011)
虽然说很多是关于方法的,而且发的IF也不是很高,但是我一直认为方法比结果往往更重要——有了好的方法才有可能创造出惊人的发现
很对,BOINC已经跑了10年了,但是10年对于大部分的人来说是很长,但是对于好的成果来说只能说太短暂
而且,即便是BOINC募集了如此之多的计算能力,对于庞大的数据来说,也无非是望梅止渴
拿分子模拟来说,仅仅对一个全病毒的模拟,即便是天河级别的机器,每天也只能进行几个ms的模拟,离实用差的不是一点儿半点儿
所以我的观点是,BOINC其实才刚刚起步,现在就丧失信心为时过早~
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