抄録
The force field of a protein is an important and fundamental tool for protein scientists in modeling the structures. Although currently available all-atom protein force fields have been well tuned, it is still a difficult and time-consuming task to quantitatively reproduce the thermodynamic parameters by computer simulation, especially in water. In this article, a new all-atom protein force field (named as the SAAP force field), which is based on a novel idea to compose a protein force field by using single amino acid potential (SAAP) functions, is presented.
