Utility of Brownian dynamics simulations in chemistry and biology: A comprehensive review

Abstract

Brownian dynamics (BD) simulations, a powerful computer simulation tool that has gained significant attraction in investigating the intricate dynamics of chemical and biological systems. By meticulously modeling the diffusive motion of molecules and their intricate interactions, BD simulations offer invaluable insights into a diverse array of phenomena, including reaction kinetics, molecular transport, and biomolecular association. This comprehensive review delves into the utility of BD simulations within the realms of chemistry and biology. We meticulously explore the theoretical underpinnings of the technique, critically analyze its strengths and limitations, and showcase its diverse applications across various scientific domains. By providing a comprehensive analysis of the existing literature, we aim to illuminate the potential of BD simulations to significantly advance our understanding of complex chemical and biological systems, ultimately contributing to the development of innovative therapeutic solutions serving a broad range of biomedical applications.