Research Articles
The Tango of Molecules: How Computer Simulations Decipher a Mysterious Protein Helper
Exploring how molecular dynamics simulations validate the GAFF force field for modeling 2,2,2-trifluoroethanol (TFE) in protein studies
The Invisible Dance: How Computers Simulate Chemical Reactions One Atom at a Time
Explore how Classical Molecular Dynamics simulations reveal the hidden choreography of chemical reactions at atomic scale.
The Invisible Velcro: How Computer Simulations Reveal Nature's Secrets for Stronger, Greener Materials
Exploring how molecular dynamics simulations reveal the secrets of clay-polysaccharide nanocomposites for sustainable materials
The Great Clay Swell: How Computer Simulations Unlock Earth's Tiny, Water-Hungry Sponges
Exploring how Molecular Dynamics simulations reveal the nano-scale behavior of mixed-layer clays and their swelling properties when hydrated.