272 related articles for article (PubMed ID: 22070292)
1. Large-scale symmetry-adapted perturbation theory computations via density fitting and Laplace transformation techniques: investigating the fundamental forces of DNA-intercalator interactions.
Hohenstein EG; Parrish RM; Sherrill CD; Turney JM; Schaefer HF
J Chem Phys; 2011 Nov; 135(17):174107. PubMed ID: 22070292
[TBL] [Abstract][Full Text] [Related]
2. Energy component analysis of π interactions.
Sherrill CD
Acc Chem Res; 2013 Apr; 46(4):1020-8. PubMed ID: 23020662
[TBL] [Abstract][Full Text] [Related]
3. Stacking interactions and DNA intercalation.
Li S; Cooper VR; Thonhauser T; Lundqvist BI; Langreth DC
J Phys Chem B; 2009 Aug; 113(32):11166-72. PubMed ID: 19719266
[TBL] [Abstract][Full Text] [Related]
4. Spatial assignment of symmetry adapted perturbation theory interaction energy components: The atomic SAPT partition.
Parrish RM; Sherrill CD
J Chem Phys; 2014 Jul; 141(4):044115. PubMed ID: 25084889
[TBL] [Abstract][Full Text] [Related]
5. Density-fitted open-shell symmetry-adapted perturbation theory and application to π-stacking in benzene dimer cation and ionized DNA base pair steps.
Gonthier JF; Sherrill CD
J Chem Phys; 2016 Oct; 145(13):134106. PubMed ID: 27782424
[TBL] [Abstract][Full Text] [Related]
6. Physical nature of ethidium and proflavine interactions with nucleic acid bases in the intercalation plane.
Langner KM; Kedzierski P; Sokalski WA; Leszczynski J
J Phys Chem B; 2006 May; 110(19):9720-7. PubMed ID: 16686524
[TBL] [Abstract][Full Text] [Related]
7. Solution structure and thermodynamics of 2',5' RNA intercalation.
Horowitz ED; Lilavivat S; Holladay BW; Germann MW; Hud NV
J Am Chem Soc; 2009 Apr; 131(16):5831-8. PubMed ID: 19309071
[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. Binding of cationic and neutral phenanthridine intercalators to a DNA oligomer is controlled by dispersion energy: quantum chemical calculations and molecular mechanics simulations.
Kubar T; Hanus M; Ryjácek F; Hobza P
Chemistry; 2005 Dec; 12(1):280-90. PubMed ID: 16294358
[TBL] [Abstract][Full Text] [Related]
10. 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]
11. Conformation and dynamics of drug-DNA intercalation.
Herzyk P; Neidle S; Goodfellow JM
J Biomol Struct Dyn; 1992 Aug; 10(1):97-139. PubMed ID: 1418749
[TBL] [Abstract][Full Text] [Related]
12. Intercalation of daunomycin into stacked DNA base pairs. DFT study of an anticancer drug.
Barone G; Guerra CF; Gambino N; Silvestri A; Lauria A; Almerico AM; Bickelhaupt FM
J Biomol Struct Dyn; 2008 Aug; 26(1):115-30. PubMed ID: 18533732
[TBL] [Abstract][Full Text] [Related]
13. Ethidium and proflavine binding to a 2',5'-linked RNA duplex.
Horowitz ED; Hud NV
J Am Chem Soc; 2006 Dec; 128(48):15380-1. PubMed ID: 17131997
[TBL] [Abstract][Full Text] [Related]
14. Comparison of intermolecular interaction energies from SAPT and DFT including empirical dispersion contributions.
Hesselmann A
J Phys Chem A; 2011 Oct; 115(41):11321-30. PubMed ID: 21806071
[TBL] [Abstract][Full Text] [Related]
15. Quantum-mechanical analysis of the energetic contributions to π stacking in nucleic acids versus rise, twist, and slide.
Parker TM; Hohenstein EG; Parrish RM; Hud NV; Sherrill CD
J Am Chem Soc; 2013 Jan; 135(4):1306-16. PubMed ID: 23265256
[TBL] [Abstract][Full Text] [Related]
16. Intermolecular interactions in photodamaged DNA from density functional theory symmetry-adapted perturbation theory.
Sadeghian K; Bocola M; Schütz M
Chemphyschem; 2011 May; 12(7):1251-4. PubMed ID: 21452189
[TBL] [Abstract][Full Text] [Related]
17. Density fitting of intramonomer correlation effects in symmetry-adapted perturbation theory.
Hohenstein EG; Sherrill CD
J Chem Phys; 2010 Jul; 133(1):014101. PubMed ID: 20614953
[TBL] [Abstract][Full Text] [Related]
18. Optimized damping parameters for empirical dispersion corrections to symmetry-adapted perturbation theory.
Schriber JB; Sirianni DA; Smith DGA; Burns LA; Sitkoff D; Cheney DL; Sherrill CD
J Chem Phys; 2021 Jun; 154(23):234107. PubMed ID: 34241276
[TBL] [Abstract][Full Text] [Related]
19. Predicting and Understanding Non-Covalent Interactions Using Novel Forms of Symmetry-Adapted Perturbation Theory.
Carter-Fenk K; Lao KU; Herbert JM
Acc Chem Res; 2021 Oct; 54(19):3679-3690. PubMed ID: 34550669
[TBL] [Abstract][Full Text] [Related]
20. Density functional theory studies of interactions of ruthenium-arene complexes with base pair steps.
Mutter ST; Platts JA
J Phys Chem A; 2011 Oct; 115(41):11293-302. PubMed ID: 21812434
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
