DFT Description of Intermolecular Forces between 9-Aminoacridines and DNA Base Pairs

The structure and intermolecular forces of DNA condensates

Spontaneous assembly of DNA molecules into compact structures is ubiquitous in biological systems. Experiment has shown that polycations can turn electrostatic self-repulsion of DNA into attraction, yet the physical mechanism of DNA condensation has remained elusive. Here, we report the results of atomistic molecular dynamics simulations that elucidated the microscopic structure of dense DNA as...

Intermolecular forces.

The nature of molecular interactions is examined. Intermolecular forces are divided into long-range and short-range components; the former operate at distances where the effects of electron exchange are negligible and decrease as an inverse power of the separation. The long-range interactions may be subdividied into electrostatic, induction and dispersion contributions, where the electrostatic ...

Supplemental Material: The structure and intermolecular forces of DNA condensates

Intermolecular Forces and Biological Specificity.

* Contribution no. 442, Department of Plant Breeding, Cornell University. Work reported here was done under contract AT-(30-1)-2139, U.S. Atomic Energy Commission. Falk, R., and A. Rahat, these PROCEEDINGS, 49, 292 (1963). 2 Wallace, B., in Molecular Genetics and Human Disease, ed. L. S. Gardner (Springfield, Ill.: C C Thomas, 1961). 3 Wallace, B., Evolution, 12, 532 (1958). 4 Wallace, B., and ...

Chimeric GNA/DNA metal-mediated base pairs.

DNA double helices comprising chimeric GNA/DNA metal-mediated base pairs have been synthesized and characterized (GNA = glycol nucleic acid). The possibility to combine different nucleic acid backbones within one metal-mediated base pair expands the applicability of metal-functionalized nucleic acids.