Critical examination of residue-residue interaction used in protein structure recognition

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2005-01-01
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Wang, Hua
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Physics and Astronomy
Physics and astronomy are basic natural sciences which attempt to describe and provide an understanding of both our world and our universe. Physics serves as the underpinning of many different disciplines including the other natural sciences and technological areas.
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We use a gapped structural threading method to predict the protein conformations in solution. After analysis of the results in CASP6 (Critical Assessment of Techniques for Protein Structure Prediction), we found there are some weak points in the scoring function which we should refine. We made three attempts to improve the scoring function. First we automatically adjusted the 20 parameters of residue-residue interactions. Then we investigate 29 contact matrix potentials, in order to select the best one for energy evaluation. Last, we add the Blosum Matrix score in our energy function to take account of the sequence similarity information in consideration.

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Sat Jan 01 00:00:00 UTC 2005