wild-type simulation w/ sugars // "This is a 1 ns molecular dynamics simulation of the wild-type pdbid: with all of the sugars correctly parameterized." // So consider: This is 1 nanosecond of motion slowed down to 15 seconds.
Computational biophysicists use a new open source computational tool called fABMACS for molecular dynamics simulations to see beyond static images of proteins to more efficiently understand how these molecules function, which could ultimately speed up the
VMD - Visual Molecular Dynamics, molecular graphics software for MacOS X, Unix, and Windows
Physicists Create New Form of Water / Sci-News 2/8/18 Visualization of molecular dynamics simulations showing the fast diffusion of hydrogen ions (pink trajectories) within the solid lattice of oxygen in superionic ice. Image credit: S. Hamel / M. Millot / J.Wickboldt / LLNL / NIF.
Gi- and Gs-coupled GPCRs show different modes of G-protein binding
Protonation state of inhibitors determines interaction sites within voltage-gated sodium channels