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


分享 The first GPCR-Gi complex structure resolved
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|94 次阅读|没有评论
分享 openSUSE Leap 15.0 released
2018-5-28 04:28
Download: 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|208 次阅读|没有评论
分享 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 ...
228 次阅读|没有评论
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|298 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|251 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|415 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|647 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|614 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|508 次阅读|没有评论

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