What are the Challenges in Biomolecular Simulations?
Despite their potential, biomolecular simulations come with several challenges:
1. Computational Cost: High accuracy simulations, especially those involving quantum mechanics, are computationally expensive and time-consuming. 2. Accuracy of Models: The reliability of a simulation depends on the accuracy of the underlying model. Inaccurate force fields or parameters can lead to misleading results. 3. Scalability: Simulating large biological systems or long time scales remains difficult due to the immense computational resources required.
