Science Blog of Dr. Yuan分享 This blog is mainly on Molecular molecular modelling and simulations


分享 A postdoc position in GPCR modelling
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|170 次阅读|没有评论
分享 Amber18 is now available
2018-4-19 04:08
The Amber suite version 18 is now released ( on April 17, 2018 ). The Amber18 package builds on AmberTools18 by adding the pmemd program, which resembles the sander (molecular dynamics) code in AmberTools, but provides (much) better performance on ...
个人分类: 科研笔记|94 次阅读|没有评论
分享 Opportunities and Challenges of a multi-scale cell model
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|263 次阅读|没有评论
分享 QM calculation unravels the stereo selectivity
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|544 次阅读|没有评论
分享 圣诞与新年快乐
2017-12-14 00:45
个人分类: 好文转载|349 次阅读|没有评论
分享 Minimizing all windows
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|332 次阅读|没有评论
分享 Computational modelling identified the real catalytic site
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|571 次阅读|没有评论
分享 MetadynView, an online tool for metaMD analysis
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|421 次阅读|没有评论
分享 A postodoc position in EPFL, Swtizerland
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 ...
724 次阅读|没有评论
分享 [转载]The strange link between the human mind and quantum physics
2017-11-2 18:26
Nobody understands what consciousness is or how it works. Nobody understands quantum mechanics either. Could that be more than coincidence? By Philip Ball 16 February 2017 From I cannot define the real problem, therefore I suspect there's n ...
个人分类: 好文转载|452 次阅读|没有评论

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