Abstract Molecular dynamics simulations are important tools for understanding the physical basis of the structure and function of biological macromolecules.

Sandia National Laboratories announced today a new speed record in molecular dynamics simulation. A collaborative research team ran simulations using the Cerebras Wafer Scale Engine (WSE) processor ...

Researchers at the Regensburg Center for Biochemistry (RCB) and the Regensburg Center for Ultrafast Nanoscopy (RUN) at the ...

Biomolecular Emulator can predict protein dynamics and offers accurate insights in biomolecular research. This article helps ...

For life to function, cell membranes must remain intact. When these fragile barriers are damaged – for instance by heat or ...

HSE scientists used supercomputer simulations to study the behaviour of ions and water molecules inside the nanopores of a ...

The approach called "molecular dynamics simulation" enables scientists to use computer programmes to simulate the dynamic motion of all the atoms in a molecular system as a function of time.

Researchers presented an overview of factors influencing emerging infectious diseases. They also highlighted the importance of molecular dynamic (MD) simulations and molecular docking (MDO ...

SUNNYVALE, Calif. – May 15, 2024 – Accelerated generative AI chip company Cerebras Systems, in collaboration with researchers from Sandia, Lawrence Livermore, and Los Alamos National Laboratories, ...

Water is the most prevalent component of biomolecular simulations—from protein ensembles to nucleic acids—and inaccurately simulating it can lead to errors for research results in biomolecular ...