In silico approaches for carbohydrates

Milestones and current achievements in modeling of carbohydrates are discussed. Both the evolution of modeling techniques and their interpretative capabilities are showed in a comprehensive way. An important aspect of in silico study in the context of carbohydrates is presented, including the effects of carbohydrate-carbohydrate, carbohydrate-protein, carbohydrate-antibody interactions, and their applications are discussed on the basis of the latest literature. Two key in silico methods are presented, namely, quantum and molecular mechanics and artificial intelligence approaches to carbohydrate modeling.