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Breaking the next Cryo-EM resolution barrier
袁曙光 2020-6-5 08:48
冷冻电镜领域的又一大技术突破。解析蛋白质大分子最高分辨率可以高达1.25Å,每个原子清晰可见。 Single particle cryo-EM is a powerful method to solve the three-dimensional structures of biological macromolecules. The technological development of electron microscopes, detectors, automated procedu ...
个人分类: 科研笔记|502 次阅读|没有评论
Merry Christmas and Happy New Year 2019-2020
袁曙光 2019-12-24 21:29
个人分类: 科研笔记|1148 次阅读|没有评论
Nobel Prize in Chemistry 2018
袁曙光 2018-10-3 17:57
The Royal Swedish Academy of Sciences has decided to award the #NobelPrize in Chemistry 2018 with one half to Frances H. Arnold and the other half jointly to George P. Smith and Sir Gregory P. Winter. Sir Gregory Winter, awarded the #NobelPrize in Chemistry, ...
个人分类: 科研笔记|1984 次阅读|没有评论
The first GPCR-Go complex structure resolved
袁曙光 2018-6-25 02:58
Cryo-EM structure of the serotonin 5-HT1B receptor coupled to heterotrimeric Go Nature (2018) Abstract G-protein-coupled receptors (GPCRs) form the largest family of receptors encoded by the human genome (around 800 genes). They transduce signals by coupling to a small number of ...
个人分类: 科研笔记|1572 次阅读|没有评论
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|1755 次阅读|没有评论
Amber18 is now available
袁曙光 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|2813 次阅读|没有评论
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|1784 次阅读|没有评论
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|1469 次阅读|没有评论
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|1416 次阅读|没有评论
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|1425 次阅读|没有评论

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