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


WPS 10.1 for Linux released
2016-6-27 04:33
WPS Office for Linux Alpha21 Addresses: wps-office_10.1.0.5672~a21_i386.deb SHA1SUM: a5e33090a58289db4b6ed7c0a05532e51428f9a7 wps-office_10.1.0.5672~a21_amd64.deb SHA1SUM: 80d884c47eaeee3305958ed87e61eafbee30b0cf wps-office- SHA1SUM: b49bf9567ea ...
个人分类: Linux相关|4191 次阅读|没有评论
International Workshop on Biomembranes
2016-6-26 05:43
Description - Chemical interactions, lateral heterogeneity, and the lipid zoo. Lipidomic studies of membranes reveal a huge diversity of lipid types, the composition of which varies with cell and membrane type. All-atom models have recently been shown to quantitatively capture the chemistry of ...
个人分类: 科研笔记|2212 次阅读|没有评论
a postdoc position
2016-6-19 16:16
About the Agency for Science, Technology and Research (A*STAR) The Agency for Science, Technology and Research (A*STAR) is Singapore's lead public sector agency that spearheads economic oriented research to advance scientific discovery and develop innovative technology. Through open innovati ...
个人分类: 好文转载|2456 次阅读|没有评论
The stereoselectivity of 5-HT1A receptor
2016-6-10 17:10
Yuan, S*, Peng, Q, Palczewski, K., Vogel, H, Filipek, S*. (2016) Mechanistic Studies on the Stereoselectivity of the Serotonin 5-HT1A Receptor. Angew. Chem. Int. Ed DOI: 10.1002/anie.201603766R1 (2016) Full Text G-protein-coupled receptors (GPCRs) are involved in a wide range ...
个人分类: 科研笔记|2197 次阅读|没有评论
MetaMD simulation in Desmond
2016-6-10 16:58
MetaMD simulation is an advanced free energy sampling method which is particularly efficient for rare biological event samplings. Most of the current MD simulation tool support metaMD quite well. However, the speeds for sampling certain collective various (CVs) could be extremely slow. The GPU vers ...
2908 次阅读|没有评论
A Gating Mechanism of the Serotonin 5-HT3 Receptor
2016-4-22 15:55
Full Text DOI:10.1016/j.str.2016.03.019 Highlights • Rotamer change of W156 in the highly conserved aromatic cage • Tilting-twisting movements captured at the extracellular domain • Rotamer change of L260 lead to formation of a continuous water p ...
1926 次阅读|没有评论
Models for Protein Dynamics 1976-2016
热度 1 2016-1-7 20:55
Models for Protein Dynamics 1976-2016 February 15-18, 2016 Location : CECAM-HQ-EPFL, Lausanne, Switzerland registeration: Invited speakers: Jean-Paul Ryckaert (invited speaker) (Université Libre de Bruxelles) Shoshan ...
1952 次阅读|1 个评论 热度 1
Merry Christmas and Happy New Year
2015-12-22 21:36
个人分类: 未分类|1855 次阅读|没有评论
AutodockFR, a new open source, flexible docking tool
2015-12-8 16:31
As the most widely used docking tool, Autodock team released next version: AutodockFR. AutoDockFR: Advances in Protein-Ligand Docking with Explicitly Specified Binding Site Flexibility, Pradeep Anand Ravindranath, Stefano Forli, David S. Goodsell, Arthur J. Olson, Michel F. Sanner PLOS ...
个人分类: 科研笔记|2617 次阅读|没有评论
NVIDIA Optimus without bumblebee
2015-11-26 23:28
Although bumblebee under Linux gives people lots of convenience in switching dedicated GPU to integrated ones, it still causes plenty of problems such as many software cannot detect the GPU correctly. NVIDIA Optimus , which only use the dedicated Nivida GPU by default for all program, seems to s ...
2501 次阅读|没有评论

Archiver|手机版|科学网 ( 京ICP备07017567号-12 )

GMT+8, 2022-10-4 10:54

Powered by

Copyright © 2007- 中国科学报社