Molecular Dynamics Research Hub

Explore breakthrough studies, simulation methodologies, and computational approaches in molecular science

Research Articles

Unfolding a Microscopic Mystery: How Computers are Cracking the Code of Alzheimer's

Discover how first-principles modeling and the GNNQQNY peptide are helping scientists understand Alzheimer's disease at the atomic level.

Emma Hayes
Oct 13, 2025

The Hidden Dance of Proteins: How Award-Winning Research is Revealing Nature's Microscopic Machinery

Explore the groundbreaking research of Yu-ming Huang and Abhay Thakur, winners of Protein Science best paper awards, and their discoveries about enzyme metabolons and protein folding.

Aurora Long
Oct 03, 2025

Cracking the Protein Puzzle: How a New Software Is Unfolding the Secrets of Life

Discover how pyrexMD, a powerful Python package, is revolutionizing molecular dynamics simulations to unlock the secrets of protein folding and disease mechanisms.

Aaliyah Murphy
Aug 19, 2025

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