Faculty Opinions recommendation of Atomic-level characterization of the structural dynamics of proteins.

Author(s):  
Jean-Pierre Changeux
2018 ◽  
Vol 114 (3) ◽  
pp. 521a
Author(s):  
Anthony T. Meger ◽  
Steven M. Berry ◽  
Alessandro Cembran

Science ◽  
2010 ◽  
Vol 330 (6002) ◽  
pp. 341-346 ◽  
Author(s):  
D. E. Shaw ◽  
P. Maragakis ◽  
K. Lindorff-Larsen ◽  
S. Piana ◽  
R. O. Dror ◽  
...  

2005 ◽  
Vol 287 ◽  
pp. 233-241 ◽  
Author(s):  
Paul F. Becher ◽  
Gayle S. Painter ◽  
Naoya Shibata ◽  
Hua Tay Lin ◽  
Mattison K. Ferber

Silicon nitride ceramics are finding uses in numerous engineering applications because of their tendency to form whisker-like microstructures that can overcome the inherent brittle nature of ceramics. Studies now establish the underlying microscopic and atomic-scale principles for engineering a tough, strong ceramic. The theoretical predictions are confirmed by macroscopic observations and atomic level characterization of preferential segregation at the interfaces between the grains and the continuous nanometer thick amorphous intergranular film (IGF). Two interrelated factors must be controlled for this to occur including the generation of the elongated reinforcing grains during sintering and debonding of the interfaces between the reinforcing grains and the matrix. The reinforcing grains can be controlled by (1) seeding with beta particles and (2) the chemistry of the additives, which also can influence the interfacial debonding conditions. In addition to modifying the morphology of the reinforcing grains, it now appears that the combination of preferential segregation and strong bonding of the additives (e.g., the rare earths, RE) to the prism planes can also result in sufficiently weakens the bond of the interface with the IGF to promote debonding. Thus atomic-scale engineering may allow us to gain further enhancements in fracture properties. This new knowledge will enable true atomic-level engineering to be joined with microscale tailoring to develop the advanced ceramics that will be required for more efficient engines, new electronic device architectures and composites.


2015 ◽  
Vol 112 (34) ◽  
pp. 10714-10719 ◽  
Author(s):  
Yun Mou ◽  
Po-Ssu Huang ◽  
Fang-Ciao Hsu ◽  
Shing-Jong Huang ◽  
Stephen L. Mayo

Homodimers are the most common type of protein assembly in nature and have distinct features compared with heterodimers and higher order oligomers. Understanding homodimer interactions at the atomic level is critical both for elucidating their biological mechanisms of action and for accurate modeling of complexes of unknown structure. Computation-based design of novel protein–protein interfaces can serve as a bottom-up method to further our understanding of protein interactions. Previous studies have demonstrated that the de novo design of homodimers can be achieved to atomic-level accuracy by β-strand assembly or through metal-mediated interactions. Here, we report the design and experimental characterization of a α-helix–mediated homodimer with C2 symmetry based on a monomeric Drosophila engrailed homeodomain scaffold. A solution NMR structure shows that the homodimer exhibits parallel helical packing similar to the design model. Because the mutations leading to dimer formation resulted in poor thermostability of the system, design success was facilitated by the introduction of independent thermostabilizing mutations into the scaffold. This two-step design approach, function and stabilization, is likely to be generally applicable, especially if the desired scaffold is of low thermostability.


Soft Matter ◽  
2016 ◽  
Vol 12 (27) ◽  
pp. 5986-5994 ◽  
Author(s):  
J. R. Guzman-Sepulveda ◽  
J. Deng ◽  
J. Y. Fang ◽  
A. Dogariu

Nanoscale ◽  
2020 ◽  
Vol 12 (35) ◽  
pp. 18039-18048 ◽  
Author(s):  
Evgeny Gerber ◽  
Anna Yu. Romanchuk ◽  
Ivan Pidchenko ◽  
Lucia Amidani ◽  
Andre Rossberg ◽  
...  

We report a full characterization of PuO2 nanoparticles at the atomic level and probe their local and electronic structure by a variety of methods available at the synchrotron and theoretical approaches.


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