250 related articles for article (PubMed ID: 19708119)
21. Double-proton transfer in adenine-thymine and guanine-cytosine base pairs. A post-Hartree-Fock ab initio study.
Gorb L; Podolyan Y; Dziekonski P; Sokalski WA; Leszczynski J
J Am Chem Soc; 2004 Aug; 126(32):10119-29. PubMed ID: 15303888
[TBL] [Abstract][Full Text] [Related]
22. Levels of symmetry adapted perturbation theory (SAPT). I. Efficiency and performance for interaction energies.
Parker TM; Burns LA; Parrish RM; Ryno AG; Sherrill CD
J Chem Phys; 2014 Mar; 140(9):094106. PubMed ID: 24606352
[TBL] [Abstract][Full Text] [Related]
23. Ab initio base-pairing energies of an oxidized thymine product, 5-formyluracil, with standard DNA bases at the BSSE-free DFT and MP2 theory levels.
Volk DE; Thiviyanathan V; Somasunderam A; Gorenstein DG
Org Biomol Chem; 2007 May; 5(10):1554-8. PubMed ID: 17571183
[TBL] [Abstract][Full Text] [Related]
24. Energy barriers between H-bonded and stacked structures of 9-methyladenine...1-methylthymine and 9-methylguanine...1-methylcytosine complexes.
Cerný J; Hobza P
Chem Commun (Camb); 2010 Jan; 46(3):383-5. PubMed ID: 20066299
[TBL] [Abstract][Full Text] [Related]
25. Accurate interaction energies of hydrogen-bonded nucleic acid base pairs.
Sponer J; Jurecka P; Hobza P
J Am Chem Soc; 2004 Aug; 126(32):10142-51. PubMed ID: 15303890
[TBL] [Abstract][Full Text] [Related]
26. Post Hartree-Fock studies of the canonical Watson-Crick DNA base pairs: molecular structure and the nature of stability.
Danilov VI; Anisimov VM
J Biomol Struct Dyn; 2005 Feb; 22(4):471-82. PubMed ID: 15588110
[TBL] [Abstract][Full Text] [Related]
27. Role of electron-driven proton-transfer processes in the excited-state deactivation of the adenine-thymine base pair.
Perun S; Sobolewski AL; Domcke W
J Phys Chem A; 2006 Jul; 110(29):9031-8. PubMed ID: 16854013
[TBL] [Abstract][Full Text] [Related]
28. Computation of large systems with an economic basis set: structures and reactivity indices of nucleic acid base pairs from density functional theory.
Fan WJ; Zhang RQ; Liu S
J Comput Chem; 2007 Apr; 28(5):967-74. PubMed ID: 17269120
[TBL] [Abstract][Full Text] [Related]
29. Ab initio study of hydrogen-bond formation between aliphatic and phenolic hydroxy groups and selected amino acid side chains.
Nagy PI; Erhardt PW
J Phys Chem A; 2008 May; 112(18):4342-54. PubMed ID: 18373368
[TBL] [Abstract][Full Text] [Related]
30. Femtosecond two-dimensional infrared spectroscopy of adenine-thymine base pairs in DNA oligomers.
Yang M; Szyc Ł; Elsaesser T
J Phys Chem B; 2011 Feb; 115(5):1262-7. PubMed ID: 21214277
[TBL] [Abstract][Full Text] [Related]
31. The small planarization barriers for the amino group in the nucleic acid bases.
Wang S; Schaefer HF
J Chem Phys; 2006 Jan; 124(4):044303. PubMed ID: 16460158
[TBL] [Abstract][Full Text] [Related]
32. Benchmark database of accurate (MP2 and CCSD(T) complete basis set limit) interaction energies of small model complexes, DNA base pairs, and amino acid pairs.
Jurecka P; Sponer J; Cerný J; Hobza P
Phys Chem Chem Phys; 2006 May; 8(17):1985-93. PubMed ID: 16633685
[TBL] [Abstract][Full Text] [Related]
33. Nanoswitches based on DNA base pairs: why adenine-thymine is less suitable than guanine-cytosine.
Fonseca Guerra C; van der Wijst T; Bickelhaupt FM
Chemphyschem; 2006 Sep; 7(9):1971-9. PubMed ID: 16888742
[TBL] [Abstract][Full Text] [Related]
34. The amino group in adenine: MP2 and CCSD(T) complete basis set limit calculations of the planarization barrier and DFT/B3LYP study of the anharmonic frequencies of adenine.
Zierkiewicz W; Komorowski L; Michalska D; Cerny J; Hobza P
J Phys Chem B; 2008 Dec; 112(51):16734-40. PubMed ID: 19367910
[TBL] [Abstract][Full Text] [Related]
35. Structures of nucleobases trapped within Au triangles and its effects on hydrogen bonding in base pairs of DNA.
Mohan PJ; Datta A; Mallajosyula SS; Pati SK
J Phys Chem B; 2006 Sep; 110(37):18661-4. PubMed ID: 16970496
[TBL] [Abstract][Full Text] [Related]
36. Cooperativity in hydrogen-bonded interactions: ab initio and "atoms in molecules" analyses.
Ziółkowski M; Grabowski SJ; Leszczynski J
J Phys Chem A; 2006 May; 110(20):6514-21. PubMed ID: 16706409
[TBL] [Abstract][Full Text] [Related]
37. Valence anion of thymine in the DNA pi-stack.
Kobyłecka M; Leszczynski J; Rak J
J Am Chem Soc; 2008 Nov; 130(46):15683-7. PubMed ID: 18954049
[TBL] [Abstract][Full Text] [Related]
38. How short can the H...H intermolecular contact be? New findings that reveal the covalent nature of extremely strong interactions.
Grabowski SJ; Sokalski WA; Leszczynski J
J Phys Chem A; 2005 May; 109(19):4331-41. PubMed ID: 16833763
[TBL] [Abstract][Full Text] [Related]
39. Reorganization energy, activation energy, and mechanism of hole transfer process in DNA: a theoretical study.
Khan A
J Chem Phys; 2008 Feb; 128(7):075101. PubMed ID: 18298173
[TBL] [Abstract][Full Text] [Related]
40. Stability of nucleic acid base pairs in organic solvents: molecular dynamics, molecular dynamics/quenching, and correlated ab initio study.
Zendlová L; Hobza P; Kabelác M
J Phys Chem B; 2007 Mar; 111(10):2591-609. PubMed ID: 17302446
[TBL] [Abstract][Full Text] [Related]
[Previous] [Next] [New Search]
