The dataset for the manuscript "Molecular understanding of the self-assembly of an N-isopropylacrylamide delivery system for the loading and temperature-dependent release of curcumin"

Global changes and drug abuse are forcing humanity to face various disease problems, and alternative therapies with safe natural substances have important research value. This paper combines various techniques in quantum chemical calculations and molecular simulations to provide molecular-level insight into the dynamics of the self-assembly of N-isopropylacrylamide NIPAM for loading curcumin. The trajectory files of the structural evolution of all the systems that have been simulated and computed during the research process are packaged into datasets from which the data (plots)presented in the paper can be extracted for in-depth analysis and study by readers interested in the paper.