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Improving coarse-grained simulations of protein-lipid interactions

2016

More than 30 % of the cytosolic proteins are estimated to interact with lipid membranes, regulating their function at specific sites of the cell. While these protein-membrane interactions are difficult to study experimentally, coarse-grained simulations provide valuable insights, if properly validated. To this aim, we compared the binding of the PH domain of PLC-δ1 in the MARTINI model to state-of-the-art atomistic simulations and the experimental literature. We propose a modification of the MARTINI model that is necessary and sufficient to study the membrane binding of the PH domain at near atomistic resolution.

Original publication:
Florian A. Herzog et al., Improved Side Chain Dynamics in MARTINI Simulations of Protein Lipid Interfaces, Journal of Chemical Theory and Computation, DOI 10.1021/acs.jctc.6b00122

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1.06.2016
Vahid's paper about the silver nanowires' application for cell electromechanical stimulations published in Advanced Healthcare Materials.
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9.5.2016
Cameron's paper about the enhanced differentiation of embryonic stem cells got published.

Congratulations! Now available in Scientific Reports.

13.4.2016
Olivera's paper about electrospun DegraPol tube delivering PDGF-BB for tendon rupture repair application got published.
Congratulations! Now available in Macromolecular Bioscience.

4.4.2016
Florian‘s paper about improved MARTINI simulations of protein-lipid interfaces got published.
Congratulations! Now available in the Journal of Chemical Theory and Comuptation.

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1.4.2016
Seminar by Prof. Eric Dufresne [ETH, Zurich] entitled: "Self Assembly and Mechanics of Living Systems"
The seminar takes place Friday, April 1 at 10:30 am in the painted room.

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16.3.2016
Seminar by Dr. Bojun Li [AO Fundation, Switzerland] entitled: "Monitoring live human mesenchymal stem cell differentiation"
The seminar takes place Wednesday, March 16 at 11:30 am in the painted room.

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17.2.2016
Melanie's paper about synergistic interactions of blood cells and implant materials got published
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15.1.2016
Dr. Lina Aires has been awared the ETH Medal
Congratulations! For her outstanding doctoral thesis Lina Aires was awarded with the ETH Medal.

5.1.2016
Ima's paper about how fimbriated bacteria evade antibiotics got published
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21.12.2015
Maria's paper about endothelial cell migration along fibronectin fibers got published.
Congratulations! Now available in   PLoS ONE

 
 
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28.06.2016
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