Modern computational chemistry methods provide a powerful tool for use in refining the geometry of proteins determined by X-ray crystallography. Specifically, computational methods can be used to correctly place hydrogen atoms unresolved by this experimental method and improve bond geometry accuracy. Using the semiempirical method PM7, the structure of the nucleotide-sanitizing enzyme MTH1, com...

The tumorigenicity of benzo(a)pyrene [B(a)P] applied topically as a skin tumor initiator in Sencar mice and the formation of epidermal B(a)P/deoxyribonucleoside adducts were compared over a similar range of doses (50 to 1600 nmol). The tumor-initiating activity of B(a)P, its covalent binding to mouse epidermal DNA, and the formation of the major hydrocarbon/deoxyribonucleoside adduct showed app...

J. M. Wilson is a National Science Foundation Predoctoral Fellow. Dr. Mitchell is the recipient of National Institutes of Health Clinical Investigator Award 1 K08 AM 00442. Received for publication 17 January 1979 and in revised form 23 July 1979. reducing incorporation into the deoxyribonucleotide pool. In contrast, deoxyadenosine plus EHNA did not show this differential inhibition of [3H]urid...

We investigated quadruplex formation in aqueous solutions of 2'-deoxyriboguanosine 5'-monophosphate, d(pG), which takes place in the absence of the covalent axial backbone. A series of in-solution small angle X-ray scattering experiments on d(pG) have been performed as a function of temperature in the absence of excess salt, at a concentration just above the critical one at which self-assemblin...

Replacement of deoxyguanosine (dG) nucleobases within G-tetrads of G-quadruplex folding oligonucleotides with donor (D)/acceptor (A) fluorescent 8aryldG residues provides diagnostic FRET signalling for G-quadruplex detection.