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分享 Minimizing all windows
袁曙光 2017-12-8 06:11
The traditional show desktop button in the task bar of GNOME is gone since 3.x version. This is extremely inconvenient when we want to see the files in our desktop with multiple windows opening. However, a gnome-shell-extension, known asminimize all, can minimize all open windows ...
个人分类: Linux相关|1036 次阅读|没有评论
分享 Computational modelling identified the real catalytic site
袁曙光 2017-11-16 18:11
GyrI-like proteins catalyze cyclopropanoid hydrolysis to confer cellular protection. Nature Communications, Yuan H., Zhang J., Cai Y., Wu S., Yang K., Chan S., Huang W., Jin W., Li Y., Yin Y., Igarashi Y., Yuan S. * , Zhou J.*, Tang G.* (2017), doi:10.1038/s41467-017-01508-1 Mutagen ...
个人分类: 科研笔记|1200 次阅读|没有评论
分享 MetadynView, an online tool for metaMD analysis
袁曙光 2017-11-6 00:12
MetadynView is a web tool for visualization and analysis of free energy surfaces calculated by metadynamics method, in particular by Plumed package. You can try the original version or the new version (SVG output) . Details on Metadyn View and its algorithm can be found in P. Hošek V. ...
个人分类: 科研笔记|1106 次阅读|没有评论
分享 A postodoc position in EPFL, Swtizerland
袁曙光 2017-11-3 19:11
Prof. Patrick Barth (associate Professor) at École polytechnique fédérale de Lausanne (2017 World QS Ranking, NO. 12), Switzerland is looking for a highly qualified postdoc with strong computational biophysicist, good programming skills and experience in protein modeling and simulations. &n ...
1537 次阅读|没有评论
分享 中文版
袁曙光 2017-10-12 13:27
http://www.gpcrm.org/index-cn.html
个人分类: 科研笔记|964 次阅读|没有评论
分享 Nobel Prize 2017 in Chemistry
袁曙光 2017-10-4 17:59
2017年诺贝尔奖被三位研究高分辨率冷冻电镜的科学家分享。 Jacques Dubochet, Joachim Frank and Richard Henderson win the 2017 Nobel prize in chemistry。 The citation reads that the trio scooped the prize “for developing cryo-electron microscopy for the high-resolution structure determination of b ...
1317 次阅读|没有评论
分享 ParmEd, a cross-program parameter and topology file editor
热度 1 袁曙光 2017-10-3 02:33
Description ParmEd is a package designed to facilitate creating and easily manipulatingmolecular systems that are fully described by a common classical force field.Supported force fields include Amber, CHARMM, AMOEBA, and several others thatshare a similar functional form (e.g., GROMOS). ParmE ...
个人分类: 科研笔记|2482 次阅读|1 个评论 热度 1
分享 Designing Safer Analgesics via u-Opioid Receptor Pathways
袁曙光 2017-9-21 19:16
HCS Chan, D McCarthy, J Li, K Palczewski, S Yuan *. Trends in Pharmacological Science (2017) DOI: http://dx.doi.org/10.1016/j.tips.2017.08.004 Pain is both a major clinical and economic problem, affecting more people than diabetes, heart disease, and cancer combined. While a ...
个人分类: 科研笔记|937 次阅读|没有评论
分享 an improved force field for folded and disordered protein
袁曙光 2017-8-20 15:32
CHARMM36m: An Improved Force Field for Folded and Intrinsically Disordered Proteins. Nature Methods, 2017 Jan; 14(1): 71–73. doi: 10.1038/nmeth.4067 Disordered protein is a challenge for molecular dynamic simulations, especially considering the lack of a proper force field. In a rece ...
个人分类: 科研笔记|1423 次阅读|没有评论

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