Articles tagged with Molecular Dynamics
Researchers capture proton motion in molecules with unprecedented accuracy, allowing for better study and control of molecular behavior. The technique enables improved methods of molecular synthesis and nano-fabrication of new materials.
Researchers at the University of Illinois at Urbana-Champaign have developed a geometric cluster algorithm that accelerates simulations of complex fluids. The new method can efficiently capture the motions of particles of different sizes, resolving a long-standing challenge in fluid simulation.
Researchers at Illinois and Stanford have compared simulated and experimental protein folding dynamics, achieving good agreement. The study used a small protein with 23 amino acids, which can fold rapidly, and demonstrated the heterogeneous nature of the folding event.
A team of researchers from the University of Michigan has created an ultrafast X-ray switch, enabling them to study the movement of constituent atoms and obtain information about molecular dynamics. The technology could be used to probe complex systems like proteins and study shock waves in materials.
Researchers at Howard Hughes Medical Institute developed a new parallel focusing method to solve the Poisson-Boltzmann equation, enabling efficient simulation of complex biomolecules. This approach allows for high-resolution modeling of molecules like microtubules and ribosomes, providing insights into their collective properties and p...
Researchers at the University at Buffalo have developed a new method to study protein dynamics in transition states, shedding light on the structural changes during activation. This breakthrough could lead to new drug development and insights into conditions like congenital myasthenia syndrome.
Researchers developed a technique to follow electronic-structural rearrangements in molecules, enabling insights into molecular electronics and biological processes like vision and photosynthesis. This breakthrough uses femtosecond laser technology to distinguish atomic motions from electronic rearrangements.
Scientists have successfully demonstrated a technique to observe the dynamics of electrons as they move across the boundaries where metals and non-metals meet. The experiment showed that electrons can become delocalized, free to roam, before becoming localized and trapped in the interface.