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Title:
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Characterizing Protein Conformation Space |
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Author:
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Nigham, Anshul; Hsu, David; Latombe, Jean-Claude |
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Issue Date:
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2007-01 |
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Abstract:
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In this work, we propose a radical approach for exploring the space of all possible protein structures. We present techniques to explore the clash-free conformation space, which comprises all protein structures whose atoms are not in self-collision. Unlike energy based methods, this approach allows efficient exploration and remains general -- the benefits of characterization of the space apply to all proteins. We hypothesize that this conformation space branches into many small funnels as we sample compact conformations. We develop a compact representation the conformation space, and give experimental results that support our hypothesis. Potential applications of our method include protein folding as well as observing structural relationships between proteins. |
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URI:
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http://hdl.handle.net/1721.1/35776
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Series/Report no.:
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Computer Science (CS) |
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Keywords:
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Protein Structure, Protein Conformation Space, Protein Folding |
