As a result of the well-known limitations of molecular dynamics simulations ... The fixed cells were post-fixed in 2% aqueous osmium tetroxide (Electron Microscopy Sciences, #RT 19152) for ...

More than a hundred experts in molecular simulation have published a paper in the journal Nature Methods calling for a paradigm shift in molecular dynamics data management. The paper, led by ...

Researchers take 'significant leap forward' with quantum simulation of molecular electron transfer. ScienceDaily . Retrieved June 3, 2025 from www.sciencedaily.com / releases / 2024 / 12 ...