Molecular Dynamic Simulation of the Dissociation of Acetylsalicylic Acid with Different Co-Crystals

Adding co-crystals to a drug is a viable technique used in the field of pharmacology to improve the dissociation of a target drug. In our project, we examined the rate of dissolution of Acetaminophen using molecular dynamic (MD) simulations, and how it varies when different co-crystals are added in. We will specifically be using oxalate and citrate. The goal of this project is to be able to determine how different co-crystals interact with Acetaminophen to be able to predict similar interactions in the future. The results will be useful for pharmaceutical research and drug development.