| 1 |
Correlated ab initio study of nucleic acid bases and their tautomers in the gas phase, in a microhydrated environment, and in aqueous solution. Part 3. Adenine
Hanus M, Kabelac M, Rejnek J, Ryjacek F, Hobza P
Journal of Physical Chemistry B, 108(6), 2087, 2004 |
| 2 |
Molecular dynamics simulations and thermodynamics analysis of DNA-drug complexes. Minor groove binding between 4',6-diamidino-2-phenylindole and DNA duplexes in solution
Spackova N, Cheatham TE, Ryjacek F, Lankas F, van Meervelt L, Hobza P, Sponer J
Journal of the American Chemical Society, 125(7), 1759, 2003 |
| 3 |
Intercalators. 1. Nature of stacking interactions between intercalators (Ethidium, Daunomycin, Ellipticine, and 4',6'-diaminide-2-phenylindole) and DNA base pairs. Ab initio quantum chemical, density functional theory, and empirical potential study (vol 124, pg 3366, 2002)
Reha D, Kabelac M, Ryjacek F, Sponer J, Sponer JE, Elstner M, Suhai S, Hobza P
Journal of the American Chemical Society, 125(18), 5581, 2003 |
| 4 |
Correlated ab initio study of nucleic acid bases and their tautomers in the gas phase, in a microhydrated environment and in aqueous solution. Guanine: Surprising stabilization of rare tautomers in aqueous solution
Hanus M, Ryjacek F, Kabelac M, Kubar T, Bogdan TV, Trygubenko SA, Hobza P
Journal of the American Chemical Society, 125(25), 7678, 2003 |
| 5 |
Intercalators. 1. Nature of stacking interactions between intercalators (ethidium, daunomycin, ellipticine, and 4',6-diaminide-2-phenylindole) and DNA base pairs. Ab initio quantum chemical, density functional theory, and empirical potential study
Reha D, Kabelac M, Ryjacek F, Sponer J, Sponer JE, Elstner M, Suhai S, Hobza P
Journal of the American Chemical Society, 124(13), 3366, 2002 |
| 6 |
Hoogsteen and stacked structures of the 9-methyladenine center dot center dot center dot 1-methylthymine pair are populated equally at experimental conditions: Ab initio and molecular dynamics study
Ryjacek F, Engkvist O, Vacek J, Kratochvil M, Hobza P
Journal of Physical Chemistry A, 105(7), 1197, 2001 |
