3.310 – Computational Methods Related to Reaction Chemistry

摘要: In this chapter, we discuss the implementation of several computational techniques that are commonly employed to simulate interactions between biomaterials and cellular systems. These methods include molecular dynamics homology modeling, which focus on atomic structure biomaterials, electronic methods, free-energy simulations. Challenges involved in applying these connections experiments also addressed. important tools delineating mechanisms tissue, govern biocompatibility. They have been applied rational design as molecular-based models predict likely recognition sequences corresponding conformations at interface material surface extracellular matrix cell membrane. Focusing will lead new insights into bioactivity existing development improved for use bone tissue repair therapies. The chapter concludes with a discussion recent applications including creation surfaces tailored functionality modeling attachment function fibronectin.