Insight into Biophysicochemical Principles of Biopolymers through Simulation and Theory.

The development of biopolymers for biomedical applications has traditionally been based on new chemistries. However, there is growing recognition that the biological responses can be regulated by the physical as well as the chemical properties of biomaterials. Understanding the biophysicochemical principles regarding biopolymers is thereby of great importance in the generation of advanced biomaterials. Herein, this review article seeks to provide a conceptual framework demonstrating how the approaches of tailored computer simulations and theoretical analysis are harnessed to explore the physicochemical principles of biopolymer cellular interactions. We briefly introduce the theoretical and simulation methods used in this field, summarize the typical findings based on these approaches, and describe the correlations between theoretical results and experiments. Finally, the future prospects for the theoretical aspect of biopolymers and their biophysicochemical interactions are discussed. The knowledge might be critical from the perspective of advantageous and safe use of designer biomaterials. [ABSTRACT FROM AUTHOR]