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Beyond the crystal: Dynamic model captures loop flexibility in swine virus drug design
Porcine reproductive and respiratory syndrome virus (PRRSV) continues to devastate the global swine industry, yet the ...
C&EN2d
Water Networks in Photosystem II Using Crystalline Molecular Dynamics Simulations and Room-Temperature XFEL Serial Crystallography
Structural dynamics of water and its hydrogen-bonding networks play an important role in enzyme function via the transport of protons, ions, and substrates. To gain insights into these mechanisms in ...
Simulations show why grains in metals and ceramics grow the way they do
A team of international scientists headed by Prof. Marco Salvalaglio from TUD–Dresden University of Technology has found out ...
Mapping how proteins bind to silica nanoparticle interactions using biophysics
Nanoparticles (NPs) are materials whose dimensions range from 1 to 1,000 nanometers (nm). Due to their nano-scale dimensions ...
C&EN4d
Molecular Dynamics Simulation of Skin Lipids: Effect of Ceramide Chain Lengths on Bilayer Properties | The Journal of Physical Chemistry B - ACS Publications
Stratum corneum (SC), the outer layer of skin, serves as a barrier for pathogens and maintains the trans-epidermal water loss. The lipid matrix of SC is the major diffusion-rate-limiting pathway as ...