@article {1997|1819,
	title = {Distortions of the DNA double helix induced by 1,3-trans-diamminedichloroplatinum(II)-intrastrand cross-link: An internal coordinate molecular modeling study},
	journal = {J. Biomol. Struct. Dyn.},
	volume = {14},
	number = {6},
	year = {1997},
	month = {jun},
	pages = {703{\textendash}714},
	abstract = {<p>A trans-diamminedichloroplatinum(II) (trans-DDP) intrastrand adduct within the sequence d(TCTG*TG*TC).d(GACACAGA) (where G* represents a platinated guanine) is modeled on the basis of qualitative experimental data concerning global unwinding and curvature as well as information on base pairing. Modeling is performed using the internal coordinate JUMNA program, specific to nucleic acids, and modified to include the possibility of covalently bound ligands. Calibration of the energy functions representing the Pt-N7 bond with guanine is described. The platinum atom and the platinum-nitrogen bonds are parameterized for use in the H{\"u}ckel Del Re method to calculate monopoles at each atom. These monopoles are consistent with the Flex force field included in Jumna. By developing an appropriate minimization protocol we are able to generate stable, distorted three-dimensional structures compatible with the experimental data and including an unusually high global unwinding. No a priori geometric assumptions are made in generating these structures.</p>},
	doi = {10.1080/07391102.1997.10508173},
	author = {Chantal Pr{\'e}vost and Boudvillain, M and Beudaert, P and Leng, M and Lavery, R and Vovelle, F}
}
@article {1996|1660,
	title = {Molecular modelling study of the netropsin complexation with a nucleic acid triple helix},
	journal = {J. Biomol. Struct. Dyn.},
	volume = {14},
	year = {1996},
	month = {dec},
	pages = {293{\textendash}302},
	abstract = {<p>A detailed molecular mechanical study has been made on the complexes of netropsin with the double stranded oligonucleotide (dA)12.(dT)12 and with the triple helix (dA)12.(dT)12.(dT)12. The complexes were built using computer graphics and energy refined using JUMNA program. In agreement with circular dichroism experiments we have shown that 3 netropsins can bind the minor grooves of the triple helix and of the double helix. The groove geometry in the duplex and in the triplex is very similar. However a detailed analysis of the energetic terms shows, in agreement with thermal denaturation studies, that the affinity of netropsin toward the double helices is larger than towards triple helices.</p>},
	doi = {10.1080/07391102.1996.10508125},
	author = {Vovelle, F and Chantal Pr{\'e}vost and Durand, M and Maurizot, J C}
}
