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10.1016/j.abb.2016.01.004 http://scihub22266oqcxt.onion/10.1016/j.abb.2016.01.004 C4909510!4909510!26792536     free     free     free       Arch+Biochem+Biophys 2016 ; 602 (ä): 12-20 Nephropedia Template TP {{tp|p=26792536|t=2016. Computational crystallization |pdf=|usr=}}{{26792536}} gab.com Text Computational crystallization JO: Arch Biochem Biophys http://www.kidney.de/pget.php?&tw=1&pmid=26792536 #FOAvip Crystallization is a key step in macromolecular structure determination by crystallography. While a robust theoretical treatment of the process is available, due to the complexity of the system, the experimental process is still largely one of trial and error. In this article, efforts in the field are discussed together with a theoretical underpinning using a solubility phase diagram. Prior knowledge has been used to develop tools that computationally predict the crystallization outcome and define mutational approaches that enhance the likelihood of crystallization. For the most part these tools are based on binary outcomes (crystal or no crystal), and the full information contained in an assembly of crystallization screening experiments is lost. The potential of this additional information is illustrated by examples where new biological knowledge can be obtained and where a target can be sub-categorized to predict which class of reagents provides the crystallization driving force. Computational analysis of crystallization requires complete and correctly formatted data. While massive crystallization screening efforts are under way, the data available from many of these studies are sparse. The potential for this data and the steps needed to realize this potential are discussed. Twit Text FOAVip Computational crystallization ????Arch Biochem Biophys http://www.kidney.de/pget.php?&tw=1&pmid=26792536 #FOAvip Twit Text # Free Paper on # # # # # LINK http://www.kidney.de/pget.php?&tw=1&pmid=26792536 #FOAvip English Wikipedia <ref>{{Cite pmid|26792536}}</ref> Computational crystallization #MMPMID26792536 Altan I; Charbonneau P; Snell EH Arch Biochem Biophys 2016[Jul]; 602 (ä): 12-20 PMID26792536show ga Crystallization is a key step in macromolecular structure determination by crystallography. While a robust theoretical treatment of the process is available, due to the complexity of the system, the experimental process is still largely one of trial and error. In this article, efforts in the field are discussed together with a theoretical underpinning using a solubility phase diagram. Prior knowledge has been used to develop tools that computationally predict the crystallization outcome and define mutational approaches that enhance the likelihood of crystallization. For the most part these tools are based on binary outcomes (crystal or no crystal), and the full information contained in an assembly of crystallization screening experiments is lost. The potential of this additional information is illustrated by examples where new biological knowledge can be obtained and where a target can be sub-categorized to predict which class of reagents provides the crystallization driving force. Computational analysis of crystallization requires complete and correctly formatted data. While massive crystallization screening efforts are under way, the data available from many of these studies are sparse. The potential for this data and the steps needed to realize this potential are discussed. äComputational crystallization (epmc).pdf DeepDyve Pubget Overpricing