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Protein

Adsorption and Conformational Evolution of Alpha-Helical BSA Segments on Graphene: A Molecular Dynamics Study

Submitted by Jingjie Yeo on

http://dx.doi.org/10.1142/S1758825116500216 Molecular dynamics (MD) simulations are performed to investigate the adsorption mechanics and conformational dynamics of single and multiple bovine serum albumin (BSA) peptide segments on single-layer graphene through analysis of parameters such as the root-mean-square displacements, number of hydrogen bonds, helical content, inter- action energies, and motions of mass center of the peptides.

Postdoc position at MIT available immediately

Submitted by Markus J. Buehler on

We have several open postdoc positions, to be filled immediately.



The first project is focused on thermal management. The project involves the computational and theoretical analysis of graphene/graphite-metal nanocomposites and experimental work carried out by other team members. We are looking for a strong person with background in thermal and mechanical properties of materials, preferrably with background in molecular simulation.



Failure of protein materials in disease and other extreme conditions

Submitted by azadpoor on

The recent issue of Nature Materials includes a review paper on the deformation and failure of protein materials in physiologically extreme conditions and disease. The paper was interesting, so I am posting the abstract here. For the full-paper visit Nature Materials.

MD simulation VS. Continuum mechanical model Of protein

Submitted by kongdong on

Hi, all

Molecular dynamics (or MC) is a powerful tool in the protein research. There're lots of scientific works in this field, which deepen our understanding gradually. My question follows, "how about the continuum mechaics in protein research".

Any discussions and advices are appreciated.

 

Kong    5th Sep 2007