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


分享 Exploring a new ligand binding site of GPCR by MD simulation
2018-7-17 22:33
Chemical Science (2018) doi:10.1039/C8SC01680A full text Identifying a target ligand binding site is an important step for structure-based rational drug design as shown here for G protein-coupled receptors (GPCRs), which are among the most popular drug targets. We applied l ...
个人分类: 未分类|291 次阅读|没有评论
分享 First GPCR-directed antibody passes approval milestone
2018-7-8 02:15
Nature Reviews Drug Discovery | Published online 28 Jun 2018; doi:10.1038/nrd.2018.103 Amgen’s erenumab recently secured FDA approval as the first G protein-coupled receptor-targeted antibody. More of these biologics are on the way, de ...
个人分类: 好文转载|200 次阅读|没有评论
分享 Next generation VR for molecular visualization and modelling
2018-7-6 15:06
Movie file VR.mp4
262 次阅读|没有评论
分享 The first GPCR-Go complex structure resolved
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|537 次阅读|没有评论
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|604 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|544 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 ...
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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|794 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|753 次阅读|没有评论

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