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


Open Force Field Consortium using direct chemical perceptio
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 ...
2201 次阅读|没有评论
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|2271 次阅读|没有评论
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|3618 次阅读|没有评论
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|2344 次阅读|没有评论
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|2037 次阅读|没有评论
2017-12-14 00:45
个人分类: 好文转载|1896 次阅读|没有评论
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|1727 次阅读|没有评论
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|1847 次阅读|没有评论
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 ...
2556 次阅读|没有评论

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