Abstract
The goal of protein crystallization screening is to determine the main factors of importance to crystallize a protein under investigation. The protein crystallization screening is often expanded to many hundreds or thousands of conditions to maximize combinatorial chemical space coverage for maximizing the chances of a successful (crystalline) outcome. Available commercial screens may not generate crystalline conditions for some proteins difficult to crystallize. Nevertheless, the previous crystallization trials could be analyzed to recommend screens with crystalline conditions. This chapter presents computational methods for protein crystallization screening.
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