Simulations comparing aluminum oxide models with differing amounts of corrugation demonstrate the significance of hydroxyl ...

The authors present an important multi-scale computational platform, which aims to automate the workflow for coarse-grained simulations of biomolecules in the framework of the popular MARTINI model.

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 ...

In a systematic review published in Progress in Biophysics and Molecular Biology, researchers presented an overview of factors influencing emerging infectious diseases (EIDs), particularly human ...

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 ...

Since the interaction between the abrasive grain, workpiece and nanofluids on the minimum quantity lubrication (MQL) grinding interface are difficult to observe directly, there is still lack of direct ...

Researchers from the Federal University of Para, Brazil, presented a systematic analysis of the affinity and conformational dynamics between the binding of severe acute respiratory syndrome ...