These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.
200 related articles for article (PubMed ID: 17957311)
1. Performance of the DFT-D method, paired with the PCM implicit solvation model, for the computation of interaction energies of solvated complexes of biological interest. Riley KE; Vondrásek J; Hobza P Phys Chem Chem Phys; 2007 Nov; 9(41):5555-60. PubMed ID: 17957311 [TBL] [Abstract][Full Text] [Related]
2. 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]
3. Assessment of the MP2 method, along with several basis sets, for the computation of interaction energies of biologically relevant hydrogen bonded and dispersion bound complexes. Riley KE; Hobza P J Phys Chem A; 2007 Aug; 111(33):8257-63. PubMed ID: 17649987 [TBL] [Abstract][Full Text] [Related]
4. 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]
5. On the nature of DNA-duplex stability. Rezác J; Hobza P Chemistry; 2007; 13(10):2983-9. PubMed ID: 17183597 [TBL] [Abstract][Full Text] [Related]
6. How does halogen bonding behave in solution? A theoretical study using implicit solvation model. Lu Y; Li H; Zhu X; Zhu W; Liu H J Phys Chem A; 2011 May; 115(17):4467-75. PubMed ID: 21466189 [TBL] [Abstract][Full Text] [Related]
7. Comparison of implicit solvent models for the simulation of protein-surface interactions. Sun Y; Latour RA J Comput Chem; 2006 Dec; 27(16):1908-22. PubMed ID: 17019723 [TBL] [Abstract][Full Text] [Related]
8. Electronic structure, binding energy, and solvation structure of the streptavidin-biotin supramolecular complex: ONIOM and 3D-RISM study. Li Q; Gusarov S; Evoy S; Kovalenko A J Phys Chem B; 2009 Jul; 113(29):9958-67. PubMed ID: 19545155 [TBL] [Abstract][Full Text] [Related]
9. 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]
10. Can the DFT-D method describe the full range of noncovalent interactions found in large biomolecules? Morgado C; Vincent MA; Hillier IH; Shan X Phys Chem Chem Phys; 2007 Jan; 9(4):448-51. PubMed ID: 17216059 [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. Solvated interaction energy (SIE) for scoring protein-ligand binding affinities. 1. Exploring the parameter space. Naïm M; Bhat S; Rankin KN; Dennis S; Chowdhury SF; Siddiqi I; Drabik P; Sulea T; Bayly CI; Jakalian A; Purisima EO J Chem Inf Model; 2007; 47(1):122-33. PubMed ID: 17238257 [TBL] [Abstract][Full Text] [Related]
13. Potential energy surface for cyclotrimethylene trinitramine dimer from symmetry-adapted perturbation theory. Podeszwa R; Bukowski R; Rice BM; Szalewicz K Phys Chem Chem Phys; 2007 Nov; 9(41):5561-9. PubMed ID: 17957312 [TBL] [Abstract][Full Text] [Related]
14. 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]
15. Highly accurate CCSD(T) and DFT-SAPT stabilization energies of H-bonded and stacked structures of the uracil dimer. Pitonák M; Riley KE; Neogrády P; Hobza P Chemphyschem; 2008 Aug; 9(11):1636-44. PubMed ID: 18574830 [TBL] [Abstract][Full Text] [Related]
16. 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]
17. Correction to DFT interaction energies by an empirical dispersion term valid for a range of intermolecular distances. Deligkaris C; Rodriguez JH Phys Chem Chem Phys; 2012 Mar; 14(10):3414-24. PubMed ID: 22297728 [TBL] [Abstract][Full Text] [Related]
18. Carbohydrate-aromatic pi interactions: a test of density functionals and the DFT-D method. Raju RK; Ramraj A; Hillier IH; Vincent MA; Burton NA Phys Chem Chem Phys; 2009 May; 11(18):3411-6. PubMed ID: 19421542 [TBL] [Abstract][Full Text] [Related]
19. Density functional method including weak interactions: Dispersion coefficients based on the local response approximation. Sato T; Nakai H J Chem Phys; 2009 Dec; 131(22):224104. PubMed ID: 20001021 [TBL] [Abstract][Full Text] [Related]
20. 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] [Next] [New Search]