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


Activating the Sound of External Monitor through HDMI
2015-10-31 05:28
When we connect our laptop to external monitor, Linux OS in many cases cannot activate the external speaker in the monitor through HDMI. However, the following simple settings could make it work: 1. Connect your computer to external monitor through HDMI while you are using Linux 2. run the fol ...
1659 次阅读|没有评论
A piece of Science Art
2015-10-8 04:29
Very impressive work by a 3D science company
1628 次阅读|没有评论
2015 Nobel Prize in Chemistry announced
热度 1 2015-10-7 17:53
from 2015 Nobel Prize in Chemistry 7 October 2015 The Royal Swedish Academy of Sciences has decided to award the Nobel Prize in Chemistry for 2015 to Tomas Lindahl Francis Crick Institute and Clare Hall Laboratory, Hertfordshire, UK Paul Modrich Howard Hughes ...
2048 次阅读|1 个评论 热度 1
Nobel Prize in Physiology or Medicine shared by Chinese
热度 2 2015-10-5 17:35
From 2015 Nobel Prize in Physiology or Medicine The Nobel Prize in Physiology or Medicine 2015 was awarded with one half jointly to William C. Campbell and Satoshi Ōmura for their discoveries concerning a novel therapy against inf ...
2360 次阅读|2 个评论 热度 2
SUSE Linux Enterprise 11 SP4 release nots
2015-8-10 22:42
Download: SUSE Linux Enterprise Desktop is the market's onlyenterprise-quality Linux desktop ready for routine business use.Developed and backed by SUSE, SUSE Linux Enterprise Desktop provides market-leadingusability, ...
个人分类: Linux相关|6920 次阅读|没有评论
A postdoc position
2015-7-24 22:56
Postdoc Opening in Computational Chemistry at the University of Vermont (UVM) The research group of Professor Jianing Li in the Department of Chemistry at UVM is looking for a postdoctoral researcher with a Ph.D. degree in Computational Chemistry, Biochemistry, Biophysics, or related fields ...
2005 次阅读|没有评论
The first GPCR/arrestin complex structure released
2015-7-23 14:54
Crystal structure of rhodopsin bound to arrestin by femtosecond X-ray laser Nature (2015) doi:10.1038/nature14656 full text PDB: 4ZWJ Abstract: G-protein-coupled receptors (GPCRs) signal primarily through G proteins or arrestins. Arrestin binding to GPCRs blocks G protein interaction a ...
个人分类: 科研笔记|2947 次阅读|没有评论
do we really need expensive calculation for binding dG?
2015-7-22 02:32
Predicting ligand activities towards a specific target is always a hot topic in computational structural biology and drug discovery. For this purpose, many technologies are developed or being improved: from optimizing scoring function to QSAR model; from MM/GBSA to MM/PBSA; from potential mean for ...
2581 次阅读|没有评论
The principle of GPCR Ligand specificity
2015-5-13 14:53
Yuan S*, Palczewski K, Peng Q, Kolinski M, Vogel H,* and Filipek S* Angew. Chem. Int. Edt. (2015) DOI: 10.1002/anie.201501742 Full Text G-protein-coupled receptors (GPCRs) are important targets for treating severe diseases. However why certain molecules act as activators whereas others, wi ...
2071 次阅读|没有评论
WATsite, a free useful tool for hydration site prediction
2015-5-4 22:29
All protein ligand interactions take place in bulk environment. It is important to predict how water molecules in the binding pocket affect their interactions. Thus, a number of tools, including WATsite , Waterdock , Schrodinger Watermap , OpenEYE SZMAP and WaterLap , were developed for this ...
个人分类: 科研笔记|2550 次阅读|没有评论

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