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Model Reduction of Large Proteins for Normal Mode Studies

Submitted by Kilho Eom on

Recently, I reported the model reduction method for large proteins for understanding large protein dynamics based on low-frequency normal modes. This work was pubslihed at Journal of Computational Chemistry (click here).

Coarse-Graining of protein structures for the normal mode studies

Abstracts 

Researcher Spotlight: Professor Lambert Ben Freund (LBF)

Submitted by Managers on

Lambert Ben Freund (LBF) was born on November 23, 1942, in Johnsburg, Illinois, a tiny rural community of a few hundred people in the northeast corner of the state. This part of the Midwest was opened to European settlement by the Black Hawk War of the 1830s. A small delegation of his ancestors arrived in the area in 1841. The enthusiastic letters they wrote to relatives waiting in Bavaria and the Rhineland resulted in rapid settlement of the area by immigrant families in the mid-1800s.

Quantum Stability of Metallic Thin Films and Nanostructures

Submitted by Zhenyu Zhang on

When a metal system shrinks its dimension(s), the conduction electrons inside the metal feel the squeezing, and are forced into (discrete) quantum states. Such confined motion of the conduction electrons may influence the global or local stability of the low dimensional systems, and in the case of a thin film on a foreign substrate this "quantum energy" of electronic origin can easily overwhelm the strain effects in definging the film stability, thereby severely influencing the preferred growth mode (see, e.g., Suo and Zhang, Phys. Rev. B 58, 5116 (1998)).

Mechanics and deformation of the nucleus in micropipette aspiration experiment

Submitted by Ashkan Vaziri on

Robust biomechanical models are essential for studying the nuclear mechanics and can help shed light on the underlying mechanisms of stress transition in nuclear elements. Here, we develop a computational model for an isolated nucleus undergoing micropipette aspiration. Our model includes distinct components representing the nucleoplasm and the nuclear envelope. The nuclear envelope itself comprises three layers: inner and outer nuclear membranes and one thicker layer representing the nuclear lamina.

Atomistic simulations for the evolution of a U-shaped dislocation in fcc Al

Submitted by Xiaoyan Li on

We show, through MD simulations, a new evolution pattern of the U-shaped dislocation in fcc Al that would enrich the FR mechanism. Direct atomistic investigation indicates that a U-shaped dislocation may behave in different manners when it emits the first dislocation loop by bowing out of an extended dislocation. One manner is that the glissile dislocation segment always bows in the original glide plane, as the conventional FR mechanism. Another is that non-coplanar composite dislocations appear owing to conservative motion of polar dislocation segments, and then bow out along each slip plane, creating a closed helical loop. The motion of these segments involves a cross-slip mechanism by which a dislocation with screw component moves from one slip plane into another. Ultimately, such non-coplanar evolution results in the formation of a FR source.

NEW ERASMUS MUNDUS MASTER COURSE IN COMPUTATIONAL MECHANICS

Submitted by Nicolas MOES on

I am writing to you to bring to your attention a new Master Course on Computational Mechanics, which has been awarded the Erasmus Mundus label.

It is an international Master course given jointly in English by the Universidad Politécnica de Cataluña (Barcelona), University of Wales Swansea), Ecole Centrale Nantes and Universität Stuttgart with the collaboration of CIMNE International Centre for Numerical Methods in Engineering, Barcelona). The Erasmus Mundus program:

Back to the Mechanics vs. Biochemistry in Cellular Mechanotransduction

Submitted by Alexander A. Spector on

In his interesting response to our comment posted on 11/28, Ning Wang focused on the transmission of a local force generated at the adhesion site(s). We agree that this is a question important to our understanding of the signaling to the nucleus. The question is not only about the range of the force transmission but also about the magnitude of such force because the nucleus is several times stiffer than the cytoskeleton.

A Model for Superplasticity not Controlled By Grain Boundary Sliding

Submitted by William D. Nix on

It is commonly assumed that grain boundary sliding can control plastic deformation in fine grained crystalline solids.  Superplasticity is often considered to be controlled by grain boundary sliding, for example.  I have never accepted that view, though my own opinion is very much at odds with the commonly accepted picture.  When I was asked to write a paper in honor of Professor F.R.N. Nabarro's 90th birthday (Prof.