Mechanisms Model Applied in the Center of the Polypeptide Chain Conformation Potential Energy Calculation

Le résumé fourni par la source

Proteins are made up of one or more polypeptide chains and the stable conformation of a polypeptide chain relates to its conformation potential; therefor,the calculation of conformation potential is a common method to study the structure of protein. Here,the motion characteristics of polypeptide chain was analyzed and a robotic mechanism model was established for polypeptide chain with the side chain. With this model the atom coordinates of a molecular system can be very conveniently obtained. A calculation method for the polypeptide chain conformation potential based on the model was given combined with the molecular force field and was applied to calculate the glycylglycine conformation potential. The result showed the correctness and rationality of the presented method in calculating the conformation potential under different conformation.

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