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openSUSE Leap 15.0 released
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2018-5-28 04:28
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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 ...
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个人分类: Linux相关|3960 次阅读|没有评论
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Open Force Field Consortium using direct chemical perceptio
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2018-5-24 14:34
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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 ...
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2703 次阅读|没有评论
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A postdoc position in GPCR modelling
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2018-4-23 22:38
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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 ...
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个人分类: 科研笔记|2657 次阅读|没有评论
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Amber18 is now available
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2018-4-19 04:08
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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 ...
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个人分类: 科研笔记|4081 次阅读|没有评论
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Opportunities and Challenges of a multi-scale cell model
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2018-4-5 22:22
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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 ...
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个人分类: 科研笔记|2788 次阅读|没有评论
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QM calculation unravels the stereo selectivity
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2017-12-14 17:53
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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 ...
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个人分类: 科研笔记|2472 次阅读|没有评论
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圣诞与新年快乐
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2017-12-14 00:45
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个人分类: 好文转载|2234 次阅读|没有评论
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Minimizing all windows
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2017-12-8 06:11
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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 ...
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个人分类: Linux相关|2030 次阅读|没有评论
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Computational modelling identified the real catalytic site
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2017-11-16 18:11
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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 ...
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个人分类: 科研笔记|2220 次阅读|没有评论
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