Molecular Dynamics: Computational simulations that model the motion of atoms and molecules over time using classical or quantum mechanical principles. Hydrogen Bonding: Attractive interactions ...

In this important study, the authors conducted atomistic molecular dynamics simulations to probe the interactions between IRE and unfolded peptides. The results help reconcile contradicting ...

Researchers create self-assembling protein nanofibers with intrinsic photoconductivity, enabling biointegrated devices ...

The dynamic and energetic properties of the alkali and halide ions were calculated using molecular dynamics (MD) and free energy simulations with various ... (2) Ion−ion interactions are very ...

One of the papers, published last year, describes the simulated results of quakes on the surface of neutron stars before they ...

A team led by Kenneth Merz, Ph.D., Staff at Cleveland Clinic's Center for Computational Life Sciences, showed how quantum ...

Merging neutron stars are excellent targets for multi-messenger astronomy. This modern and still very young method of ...

When slowly cooled, a glass-forming liquid can have its structure frozen into an amorphous solid state, avoiding ...

You are free to share (copy and redistribute) this article in any medium or format and to adapt (remix, transform, and build upon) the material for any purpose, even commercially within the parameters ...

The analysis of the obtained results is carried out by the nonlinear dynamics methods and the qualitative theory of differential equations. The results are compared for geometrically linear and ...