Molecular modeling studies acrolein-induced interstrand crosslinking in the 5'-CpG-3' DNA sequence context. In all instances the 5'-flanking base pair to the 5'-CpG-3' DNA sequence context is a C•G base pair; the 3' flanking base pair is an T•A base pair. A. R-diastereomer of carbinolamine crosslink 4, viewed from the minor groove. B. R-diastereomer of carbinolamine crosslink 4, base stacking interactions. C. S-diastereomer of carbinolamine crosslink 4, viewed from the minor groove. D. S-diastereomer of carbinolamine crosslink 4, base stacking interactions. E. R-diastereomer of pyrimidopurinone crosslink 6, viewed from the minor groove. F. R-diastereomer of pyrimidopurinone crosslink 6, base stacking interactions. R-diastereomer of pyrimidopurinone crosslink 6, viewed from the minor groove. G. S-diastereomer of pyrimidopurinone crosslink 6, viewed from the minor groove. H. S-diastereomer of pyrimidopurinone crosslink 6, base stacking interactions.