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Publication for PepSearch
Dynamic remodeling of lipids coincides with dengue virus replication in the midgut of Aedes aegypti mosquitoes
[…] urther classified into metabolic classes. Features with MS/MS data were further validated by searching against the NIST MS/MS (2014) (Agilent Technologies) and LipidBlast (2012)  libraries using MS PepSearch (2013)  and manually inspected using NIST MS Search (v2.0) . […]
Comprehensive comparison of in silico MS/MS fragmentation tools of the CASMI contest: database boosting is needed to achieve 93% accuracy
[…] tal spectrum and library spectra might be due to differences in MS/MS parameters. Hence, candidate structures were boosted by mass spectral similarity matching against MS/MS libraries . The NIST MS PepSearch program is a batch command-line version of the NIST MS search GUI program. Originally aimed at peptide scoring, this software can also be used for small molecule MS/MS similarity. Using.msp […]
An in silico MS/MS library for automatic annotation of novel FAHFA lipids
[…] omatically annotate FAHFAs in LC–MS/MS lipidomics profiling and can be therefore applied to further studies of this novel lipid class. The batch annotation process is very easy and fast using NIST MS PepSearch. We also provided the Excel template for users to adapt this library to their own instrument features and parameters and export customized libraries. The developed library and templates are […]
Calibrating E values for MS2 database search methods
[…] another . Other methods – using correlation, posterior probabilities, score, or Z-score – include, but are not limited to, SEQUEST , MS-Tag , Scope , CIDentify , Popitam , ProbID , and PepSearch . It is even harder to translate the statistical significance from any of these methods into other methods.Although evaluations of various search engines have been documented in terms of t […]
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