【摘 要】
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Background: Production of high-quality crystals is one of the main bottlenecks in the X-ray crystallography-based protein structure determination.Methods: We introduced PPCinter, a novel method to pre
【机 构】
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the school of mathematical sciences, Nankai University, Tianjin, 300071, China
【出 处】
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第五届全国生物信息学与系统生物学学术大会
论文部分内容阅读
Background: Production of high-quality crystals is one of the main bottlenecks in the X-ray crystallography-based protein structure determination.Methods: We introduced PPCinter, a novel method to predict propensity for production of diffraction-quality crystals, production of crystals, purification and production of the protein material.Results: PPCinter utilizes not only the intra-molecular factors but also the intermolecular factors.Our method outperforms several current crystallization predictors.Our method obtains the overall accuracy at 57.5 % and average MCC at 0.39.Our method reveals several factors that influence the success of crystallization process, including unfold-based index, energy-based, solvent accessibility, and hydrophobicity-based index, composition of amino acid, isoelectric point and disorder-based features.Conclusions: The proposed method, PPCinter could provide useful input for the target selection procedures utilized by the structural genomics centers .
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