More information: Shun Nanjo et al, SPACIER: on-demand polymer design with fully automated all-atom classical molecular dynamics integrated into machine learning pipelines, npj Computational ...

Scientists at the University of Leicester have captured the first detailed "molecular movie" showing DNA being unzipped at the atomic level – revealing how cells begin the crucial process of copying ...

Molecular Dynamics Simulations are grounded in classical mechanics, particularly Newton’s laws of motion, to predict how particles move within a system. The force acting on each atom is calculated ...

Therefore, the design of catalysts with high activity and ... has realized the efficient direct conversion of methane through single-atom catalysis at room temperature. The researchers proposed ...

Purdue University-connected startup Molecular Intelligence supports research scientists in bioengineering, medical science and pharmaceutical companies who use cryo-EM to determine 3D structures of ...