Computational Explorations in Biomedicine: Unraveling Molecular Dynamics for Cancer, Drug Delivery, and Biomolecular Insights using LAMMPS Simulations

R Bozorgpour - arXiv preprint arXiv:2311.13000, 2023 - arxiv.org
With the rapid advancement of computational techniques, Molecular Dynamics (MD)
simulations have emerged as powerful tools in biomedical research, enabling in-depth …

Machine Learning-Aided Molecular Dynamics Simulation for Prediction of Binding Kinetics

F Shahbazi, MN Esfahani, A Keshmiri, M Jabbari - 2024 - researchsquare.com
Chemical sensors provide new solutions to address some of the world's biggest challenges,
including climate change, energy and healthcare. Understanding molecule binding kinetics …