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Publikováno v:
Journal of medicinal chemistry. 48(23)
In large-scale virtual screening (VS) campaigns, data are often computed for millions of compounds to identify leads, but there remains the task of prioritizing VS “hits” for experimental assays and the dilemma of assessing true/false positives.
Publikováno v:
Organic Mass Spectrometry. 22:534-540
Charge reversal collisional activation mass spectremetry of negative ions has been used in conjunction with positive ion collisional activation to investigate several isomeric [H2, C, N, O]+ ions. Generation of m/z 44 ions from formamide, acetamide,