Date of Award


Document Type


Degree Name

Master of Science (MS)


Computer Science

Committee Chair

Ramazan Aygun

Committee Member

Haeyong Chung

Committee Member

Marc Pusey


Proteins--Analysis., Crystallization., Image analysis.


Protein crystallization screening focuses on determining the factors crucial for successful protein crystallization. Protein crystallization may require large number of parameters to be considered for setting up cocktails that would yield suitable large crystals for X-ray data collection. These parameters include types of reagents, ionic strengths, types of salts, pH value of buffers, temperature, etc. GenScreen is a genetic algorithm which identifies combinations of reagents and concentrations that have a higher degree of synergy and potentially offer better crystalline outcome. The advantage of using genetic algorithm for protein crystallization screening lies in its ability to handle large number of parameters in an uneven search space environment. With GenScreen, we can employ selective pairing of conditions, which could be useful in identifying precipitant synergy for obtaining crystals and antergy (pairs that produce no crystals) and thus narrow down the screening process. Our initial experiments showed that the output of GenScreen had a 33% average overlap with the associative experimental design (AED) in terms of the crystalline conditions. Wet lab experiments for protein AbIPPase using the output of GenScreen produced 50 crystalline conditions (30 more than crystalline conditions by the AED). These results show that GenScreen is an effective protein crystallization screening method.



To view the content in your browser, please download Adobe Reader or, alternately,
you may Download the file to your hard drive.

NOTE: The latest versions of Adobe Reader do not support viewing PDF files within Firefox on Mac OS and if you are using a modern (Intel) Mac, there is no official plugin for viewing PDF files within the browser window.