297 related articles for article (PubMed ID: 18052270)
1. Predicting noncovalent interactions between aromatic biomolecules with London-dispersion-corrected DFT.
Lin IC; Lilienfeld OA; Coutinho-Neto MD; Tavernelli I; Rothlisberger U
J Phys Chem B; 2007 Dec; 111(51):14346-54. PubMed ID: 18052270
[TBL] [Abstract][Full Text] [Related]
2. An application of the van der Waals density functional: Hydrogen bonding and stacking interactions between nucleobases.
Cooper VR; Thonhauser T; Langreth DC
J Chem Phys; 2008 May; 128(20):204102. PubMed ID: 18513005
[TBL] [Abstract][Full Text] [Related]
3. 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]
4. On the reliability of the AMBER force field and its empirical dispersion contribution for the description of noncovalent complexes.
Kolár M; Berka K; Jurecka P; Hobza P
Chemphyschem; 2010 Aug; 11(11):2399-408. PubMed ID: 20629063
[TBL] [Abstract][Full Text] [Related]
5. Semi-empirical molecular orbital methods including dispersion corrections for the accurate prediction of the full range of intermolecular interactions in biomolecules.
McNamara JP; Hillier IH
Phys Chem Chem Phys; 2007 May; 9(19):2362-70. PubMed ID: 17492099
[TBL] [Abstract][Full Text] [Related]
6. Structures and interaction energies of stacked graphene-nucleobase complexes.
Antony J; Grimme S
Phys Chem Chem Phys; 2008 May; 10(19):2722-9. PubMed ID: 18464987
[TBL] [Abstract][Full Text] [Related]
7. Hydrogen bonding described using dispersion-corrected density functional theory.
Arey JS; Aeberhard PC; Lin IC; Rothlisberger U
J Phys Chem B; 2009 Apr; 113(14):4726-32. PubMed ID: 19260729
[TBL] [Abstract][Full Text] [Related]
8. Interaction energy contributions of H-bonded and stacked structures of the AT and GC DNA base pairs from the combined density functional theory and intermolecular perturbation theory approach.
Hesselmann A; Jansen G; Schütz M
J Am Chem Soc; 2006 Sep; 128(36):11730-1. PubMed ID: 16953592
[TBL] [Abstract][Full Text] [Related]
9. Density functional theory augmented with an empirical dispersion term. Interaction energies and geometries of 80 noncovalent complexes compared with ab initio quantum mechanics calculations.
Jurecka P; Cerný J; Hobza P; Salahub DR
J Comput Chem; 2007 Jan; 28(2):555-69. PubMed ID: 17186489
[TBL] [Abstract][Full Text] [Related]
10. Interactions of boranes and carboranes with aromatic systems: CCSD(T) complete basis set calculations and DFT-SAPT analysis of energy components.
Sedlák R; Fanfrlík J; Hnyk D; Hobza P; Lepsík M
J Phys Chem A; 2010 Oct; 114(42):11304-11. PubMed ID: 20831237
[TBL] [Abstract][Full Text] [Related]
11. Empirically corrected DFT and semi-empirical methods for non-bonding interactions.
Foster ME; Sohlberg K
Phys Chem Chem Phys; 2010 Jan; 12(2):307-22. PubMed ID: 20023806
[TBL] [Abstract][Full Text] [Related]
12. Toward the exact solution of the electronic Schrödinger equation for noncovalent molecular interactions: worldwide distributed quantum monte carlo calculations.
Korth M; Lüchow A; Grimme S
J Phys Chem A; 2008 Mar; 112(10):2104-9. PubMed ID: 18201073
[TBL] [Abstract][Full Text] [Related]
13. Supramolecular binding thermodynamics by dispersion-corrected density functional theory.
Grimme S
Chemistry; 2012 Aug; 18(32):9955-64. PubMed ID: 22782805
[TBL] [Abstract][Full Text] [Related]
14. Trans Hoogsteen/sugar edge base pairing in RNA. Structures, energies, and stabilities from quantum chemical calculations.
Mládek A; Sharma P; Mitra A; Bhattacharyya D; Sponer J; Sponer JE
J Phys Chem B; 2009 Feb; 113(6):1743-55. PubMed ID: 19152254
[TBL] [Abstract][Full Text] [Related]
15. The structure and binding energies of the van der Waals complexes of Ar and N2 with phenol and its cation, studied by high level ab initio and density functional theory calculations.
Vincent MA; Hillier IH; Morgado CA; Burton NA; Shan X
J Chem Phys; 2008 Jan; 128(4):044313. PubMed ID: 18247955
[TBL] [Abstract][Full Text] [Related]
16. Describing weak interactions of biomolecules with dispersion-corrected density functional theory.
Lin IC; Rothlisberger U
Phys Chem Chem Phys; 2008 May; 10(19):2730-4. PubMed ID: 18464988
[TBL] [Abstract][Full Text] [Related]
17. Leading RNA tertiary interactions: structures, energies, and water insertion of A-minor and P-interactions. A quantum chemical view.
Sponer JE; Réblova K; Mokdad A; Sychrovský V; Leszczynski J; Sponer J
J Phys Chem B; 2007 Aug; 111(30):9153-64. PubMed ID: 17602515
[TBL] [Abstract][Full Text] [Related]
18. How the stabilization of INK4 tumor suppressor 3D structure evaluated by quantum chemical and molecular mechanics calculations corresponds well with experimental results: interplay of association enthalpy, entropy, and solvation effects.
Otyepka M; Sklenovský P; Horinek D; Kubar T; Hobza P
J Phys Chem B; 2006 Mar; 110(9):4423-9. PubMed ID: 16509744
[TBL] [Abstract][Full Text] [Related]
19. On the importance and origin of aromatic interactions in chemistry and biodisciplines.
Riley KE; Hobza P
Acc Chem Res; 2013 Apr; 46(4):927-36. PubMed ID: 22872015
[TBL] [Abstract][Full Text] [Related]
20. 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; Kabelác M; Ryjácek F; Sponer J; Sponer JE; Elstner M; Suhai S; Hobza P
J Am Chem Soc; 2002 Apr; 124(13):3366-76. PubMed ID: 11916422
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
