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Current Issue April 2018

05/18/2018

research article

Atomic resolution mechanism of ligand binding to a solvent inaccessible cavity in T4 lysozyme

The mechanisms by which ligands reach their binding sites are often unknown. Yet, ligand recognition by occluded cavities can happen rapidly. How does such a process occur? Experiments that provide insight at atomic resolution are currently lacking. Here Mondal et al. use a computational approach to capture the process by which a ligand, benzene, binds to a buried cavity in the L99A cavity mutant of T4 Lysozyme.

Image credit: Mondal et al.

Atomic resolution mechanism of ligand binding to a solvent inaccessible cavity in T4 lysozyme

05/24/2018

research article

Design of optimal nonlinear network controllers for Alzheimer's disease

This work aims to close the knowledge gap between theory and experiment in brain stimulation. Sanchez-Rodriguez et al. introduce a framework for producing tailored stimulation signals, based on individual neuroimaging data and innovative modeling. Their approach leads to the identification of potential target regions to successfully respond to brain stimulation therapies and yields various disease-reverting signals.

Image credit: Rodriguez et al.

Design of optimal nonlinear network controllers for Alzheimer's disease

05/24/2018

research article

The complex ecosystem in non small cell lung cancer invasion

Cancer is an elusive disease due to the wide variety of cancer types and adaptability to treatment. How is this adaptability accomplished? Here, Haney et al. employ mathematical modeling to understand how the dynamic feedbacks between different cancer cell types can impact the success of invasion in lung cancer. 

The complex ecosystem in non small cell lung cancer invasion

Image credit: Haney et al.

05/23/2018

research atticle

Logistical constraints lead to an intermediate optimum in outbreak response vaccination

Here Tao et al. develop a simple mathematical framework for representing vaccine distribution in response to an epidemic and solve for the optimal distribution strategy under realistic constraints of total vaccination effort. Focused deployment near the outbreak epicenter concentrates resources in the area most in need, but may allow the outbreak to spread outside of the response zone.

Logistical constraints lead to an intermediate optimum in outbreak response vaccination

Image credit: Tao et al.

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