Published papers on molecular dynamics simulations

Published papers on molecular dynamics simulations describe computer-based methods used to model and analyze how molecules, such as proteins or liquids, move and interact over time. These studies help scientists understand the behavior of materials at an atomic level, providing insights into processes like drug binding, material properties, and biological functions. By using advanced algorithms and computational power, researchers can simulate complex systems under various conditions, which guides experimental work and accelerates discoveries in fields like medicine, chemistry, and materials science.