A pore smaller than one nanometer reads peptide sequences amino acid by amino acid, pinpointing single-site Alzheimer's ...
Molecular dynamics simulations and free energy calculations of the self-assembly process of carbon nanotube porins reveal ...
Model shows the role of intrinsically disordered proteins in biomolecular condensate viscoelasticity
Molecular dynamics simulations yield thermodynamic and time-dependent behavior, elucidating the role of intrinsically ...
Design engineers can use AI-driven simulation to overcome bottlenecks and accelerate materials discovery with hybrid workflow ...
Thalassemia is a group of anemias that result from inherited defects in the production of the beta chain of hemoglobin. It is stabilized by gamma ...
The enzyme Na⁺-NQR is a sodium pump that drives the respiration of many marine and pathogenic bacteria. Using redox reactions ...
Researchers analyzed the thermodynamics of doxepin binding to the histamine H1 receptor. The findings highlight the ...
G-protein-coupled receptors (GPCRs) are one of the largest families of cell surface proteins in the human body that recognize hormones, neurotransmitters, and drugs. These receptors regulate a wide ...
Understanding the thermodynamic basis of ligand recognition by G-protein-coupled receptors (GPCRs), especially in terms of ...
2026 will be a transformative year in this area — one where force fields redefine the boundaries of atomistic simulation, making previously unthinkable modeling and discoveries routine. With workflows ...
U.S. branch of Japanese AI startup Matlantis, which uses atomic-scale AI-based simulation to accelerate global materials discovery, specializing in computational materials research to drive adoption ...
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