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分享 The first GPCR-Gi complex structure resolved
袁曙光 2018-6-15 01:02
Cryo-EM structure of human rhodopsin bound to an inhibitory G protein Nature (2018) Published:13 June 2018 Abstract G-protein-coupled receptors comprise the largest family of mammalian transmembrane receptors. They mediate numerous cellular pathways by coupling with d ...
个人分类: 好文转载|1299 次阅读|没有评论
分享 openSUSE Leap 15.0 released
袁曙光 2018-5-28 04:28
Download: https://software.opensuse.org/distributions/leap Release notes Release Notes REPORT BUG # openSUSE Leap is a free and Linux-based operating system for your PC, Laptop or Server. You can surf the Web, manage your e-mails and photos, do office work, play videos or mu ...
个人分类: Linux相关|1446 次阅读|没有评论
分享 Open Force Field Consortium using direct chemical perceptio
袁曙光 2018-5-24 14:34
David Mobley , Caitlin C. Bannan , Andrea Rizzi , Christopher I. Bayly , John D. Chodera , Victoria T Lim , Nathan M. Lim , Kyle A. Beauchamp , Michael R. Shirts , Michael K. Gilson , and Peter K. Eastman A key issue affecting the acc ...
1130 次阅读|没有评论
分享 A postdoc position in GPCR modelling
袁曙光 2018-4-23 22:38
ORGANISATION/COMPANY University of Warsaw RESEARCH FIELD Chemistry › Computational chemistry RESEARCHER PROFILE Recognised Researcher (R2) Established Researcher (R3) APPLICATION DEADLINE 06/05/2018 23:00 - Europe/Brussels LOCATION Poland ...
个人分类: 科研笔记|1344 次阅读|没有评论
分享 Opportunities and Challenges of a multi-scale cell model
袁曙光 2018-4-5 22:22
Opportunities and Challenges in Building a Spatiotemporal Multi-scale Model of the Human Pancreatic β Cell Cell (2018) Volume 173, Issue 1, p11–19, 22 March 2018 Figure 1. Tools for Deriving a Spatiotemporal Multi-scale Model of the Human Pancreatic b Cell Methods of interest ...
个人分类: 科研笔记|1368 次阅读|没有评论
分享 QM calculation unravels the stereo selectivity
袁曙光 2017-12-14 17:53
Structural and Computational Insight into the Catalytic Mechanism of Limonene Epoxide Hydrolase Mutants in Stereoselective Transformations , JACS (2017), DOI: 10.1021/jacs.7b10278 Zhoutong Sun , Lian Wu , Marco Bocola , H.C. Stephen Chan , Richard Lonsdale , Xu-Dong ...
个人分类: 科研笔记|1125 次阅读|没有评论
分享 圣诞与新年快乐
袁曙光 2017-12-14 00:45
个人分类: 好文转载|1140 次阅读|没有评论
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|978 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|1091 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|994 次阅读|没有评论

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