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

Endogenous intracellular allosteric modulators of GPCRs remain largely unexplored, with limited binding and phenotype data available. This gap arises from the lack of robust computational methods for ...

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

This important study provides evidence for asymptomatic Bordetella pertussis carriage among mothers in a longitudinal cohort in Zambia, significantly advancing understanding of transmission dynamics.

Molecular dynamics (MD) simulations offer a promising ... and phase behavior under varying conditions. (32−36) MD simulations offer an opportunity to explore the dynamic interactions between gas ...

We present a detailed analysis of the behavior of the highly flexible post-translational lipid modifications of rhodopsin from multiple-microsecond all-atom molecular dynamics simulations ... the ...

In the current investigation, we have performed computational simulations, specifically molecular docking and molecular dynamics, to find the interactions of CD8+ CAR T-cells to the overexpressed ...

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 ...

Pore-forming proteins in living cells, termed ion channels, are embedded in the outer membrane of almost all cell types and play a crucial role in the body's various communication systems. Blood, ...