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Method for determining correlated residues in proteins or other biopolymers using molecular dynamics
Method for determining correlated residues in proteins or other biopolymers using molecular dynamics
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机译:使用分子动力学测定蛋白质或其他生物聚合物中相关残基的方法
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摘要
The invention provides methods and systems of determining biopolymer profiles and correlations between structural units (residues) of a biopolymer based on sampling of the conformational space available to the molecule. The correlations between these structural units can further be used to find networks within a biopolymer such as the coupled residue networks in a protein. The invention also provides for designing and engineering biopolymers including polypeptides, nucleic acids and carbohydrates using the information derived from the conformation clustering and subsequent methods described herein.
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