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Coarse-grained molecular dynamics

Size-dependent shape characteristics of 2D crystal blisters

Submitted by Yifan Rao on

Dear friends, I want to share our recent work on the shape characteristics of 2D crystal blisters. Micro- and nano-sized blisters can form spontaneously when two-dimensional (2D) crystals are transferred onto substrates because liquid molecules that are initially adsorbed on 2D material and substrate surfaces can be squeezed and trapped by interfacial forces. On the one hand, blisters are undesirable in 2D material devices as they impede charge/photon/phonon transport across the interface, so various means were developed to eliminate interfacial blisters. On the other hand, m

3-year postdoc position on (coarse-grained) molecular dynamics

Submitted by Patrick Onck on

The Onck-group at the University of Groningen in The Netherlands has an opening for a post-doctoral position in the field of (coarse-grained) molecular dynamics of proteins. The candidate should have a background in molecular dynamics of hard or soft matter and is not afraid to enter a new research direction. The post-doc position is part of the oLife Fellowship Programme, a joint initiative by seven research institutes in The Netherlands for interdisciplinary research on fundamental questions concerning the origin and evolution of life. The university of Groningen is a top-1

Unraveling the molecular mechanisms of thermo-responsive properties of silk-elastin-like proteins by integrating multiscale modeling and experiment

Submitted by Jingjie Yeo on

http://dx.doi.org/10.1039/C8TB00819A

Fresh in 2018 Journal of Materials Chemistry B HOT Papers! We present integrative experimental and computational understanding of the thermal response in adaptive hydrogels tailor-made from silk-elastin-like proteins that are tunable and responsive to multiple simultaneous external stimuli.

Multiscale modeling of keratin, collagen, elastin and related human diseases: Perspectives from atomistic to coarse-grained molecular dynamics simulations

Submitted by Jingjie Yeo on

https://doi.org/10.1016/j.eml.2018.01.009 Scleroproteins are an important category of proteins within the human body that adopt filamentous, elongated conformations in contrast with typical globular proteins. These include keratin, collagen, and elastin, which often serve a common mechanical function in structural support of cells and tissues. Genetic mutations alter these proteins, disrupting their functions and causing diseases.