PPCinter:an improved method for prediction of protein crystallization
作者单位：the school of mathematical sciencesNankai University
会议名称：《第五届全国生物信息学与系统生物学学术大会暨国际生物信息学前沿研讨会高通量时代的生物信息学与系统生物学》
会议日期：2012年
学科分类：0710[理学-生物学] 071010[理学-生物化学与分子生物学] 081704[工学-应用化学] 07[理学] 08[工学] 0817[工学-化学工程与技术]
关 键 词：protein crystallization protein purification X-ray crystallography
摘 要：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 *** method outperforms several current crystallization *** method obtains the overall accuracy at 57.5%and average MCC at *** 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.