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

Welcome to the Science Blog of Dr. Shuguang Yuan. If you have any questions, please pay a visit to my personal home page (
QM calculation unravels the stereo selectivity 2017-12-14
Structural and Computational Insight into the Catalytic Mechanism of Limonene Epoxide Hydrolase Mutants in Stereoselective Transformations , JACS ( ...
圣诞与新年快乐 2017-12-14
Minimizing all windows 2017-12-08
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 ...
Computational modelling identified the real catalytic site 2017-11-16
GyrI-like proteins catalyze cyclopropanoid hydrolysis to confer cellular protection. Nature Communications, Yuan H., Zhang J., Cai Y., Wu S., Yan ...
MetadynView, an online tool for metaMD analysis 2017-11-06
MetadynView is a web tool for visualization and analysis of free energy surfaces calculated by metadynamics method, in particular by Plumed package. ...
A postodoc position in EPFL, Swtizerland 2017-11-03
Prof. Patrick Barth (associate Professor) at École polytechnique fédérale de Lausanne (2017 World QS Ranking, NO. 12), Switzerland is looking ...
[转载]The strange link between the human mind and quantum physics 2017-11-02
Nobody understands what consciousness is or how it works. Nobody understands quantum mechanics either. Could that be more than coincidence? ...
中文版 2017-10-12  
Nobel Prize 2017 in Chemistry 2017-10-04
2017年诺贝尔奖被三位研究高分辨率冷冻电镜的科学家分享。 Jacques Dubochet, Joachim Frank and Richard Henderson win the 2017 Nobel prize in chemistry ...
ParmEd, a cross-program parameter and topology file editor 2017-10-03
Description ParmEd is a package designed to facilitate creating and easily manipulatingmolecular systems that are fully described by a common cla ...
Designing Safer Analgesics via u-Opioid Receptor Pathways 2017-09-21
HCS Chan, D McCarthy, J Li, K Palczewski, S Yuan *. Trends in Pharmacological Science (2017) DOI: ...
an improved force field for folded and disordered protein 2017-08-20
CHARMM36m: An Improved Force Field for Folded and Intrinsically Disordered Proteins. Nature Methods, 2017 Jan; 14(1): 71–73. doi:  10.1038/nme ...
Two postdoc positions 2017-08-16
Professor Jianing Li has an opening of a postdoctoral fellow in the Department of Chemistry at the University of Vermont (UVM). Candidates with a Ph. ...
A Postdoctoral Position - Peptide Chemistry and Drug Design 2017-07-28
Job description The Molecular Pharmacy group at the Pharmacenter of the University of Basel is looking for highly motivated candidates for a full-t ...


  • École Polytechnique Fédérale de Lausanne

    • 生命科学->生物物理、生物化学与分子生物学->生物大分子结构与功能



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