Volume 53, Number 8, 1145-1151, DOI: 10.1007/s11434-008-0036-8

An improved method of potential of mean force for protein-protein interactions

Yu Su, WenFei Li, Jian Zhang, Jun Wang and Wei Wang

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Abstract

In this work, the traditional method of potential of mean force (PMF) is improved for describing the protein-protein interactions. This method is developed at atomic level and is distance-dependent. Compared with the traditional method, our model can reasonably consider the effects of the environmental factors. With this modification, we can obtain more reasonable and accurate pair potentials, which are the pre-requisite for precisely describing the protein-protein interactions and can help us to recognize the interaction rules of residues in protein systems. Our method can also be applied to other fields of protein science, e.g., protein fold recognition, structure prediction and prediction of thermostability.

Keywords  knowledge-based method - potential of mean force (PMF) - protein-protein interactions

Supported by the National Natural Science Foundation of China (Grant Nos. 90403120, 10474041 and 10504012)

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