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As the size of the structure data base has increased rapidly in recent years, it has become possible to derive well-refined rotamer libraries using strict criteria for data inclusion and for studying dependence of rotamer populations and dihedral angles on local structural features.
The detailed standard for data inclusion was shown previously [13].
All data was retrospective and identified by study number only and individual patient consent was not required for data inclusion.
The selection criteria used for data inclusion into the λmax analysis pool were the same as those used by Loew [ 60].
Agreement between the investigators was essential for data inclusion and few minor disagreements were resolved with the consent of the senior author.
For data inclusion, we imposed a 1000 nM affinity threshold, which is less stringent than the conventional IC50 cutoff of 500 nM, while providing an estimated specificity of 0.95 and sensitivity of 0.74 29.
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Over the last several years, a number of standards for data formatting and data inclusion for TGx/microarray data have been developed.
Although we used a common protocol for data collection, inclusion criteria varied somewhat between countries.
The total database consisted of 247 patients, of which 107 subjects were eligible for inclusion for data analysis.
Two reviewers independently screened studies for eligibility and extracted data for inclusion in this systematic review.
BMF also contacted principal investigators of published and unpublished studies for clarification of potential data for inclusion, as needed.
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