342 related articles for article (PubMed ID: 22260616)
41. Atoms-in-molecules study of the genetically encoded amino acids. III. Bond and atomic properties and their correlations with experiment including mutation-induced changes in protein stability and genetic coding.
Matta CF; Bader RF
Proteins; 2003 Aug; 52(3):360-99. PubMed ID: 12866050
[TBL] [Abstract][Full Text] [Related]
42. Unusually high dispersion of nitrogen-doped carbon nanotubes in DNA solution.
Kim JH; Kataoka M; Fujisawa K; Tojo T; Muramatsu H; Vega-Díaz SM; Tristán-López F; Hayashi T; Kim YA; Endo M; Terrones M; Dresselhaus MS
J Phys Chem B; 2011 Dec; 115(48):14295-300. PubMed ID: 22011214
[TBL] [Abstract][Full Text] [Related]
43. A novel computational scheme for accurate and efficient evaluation of π-π and π-σ stacking.
Hagiwara Y; Tateno M
J Phys Condens Matter; 2009 Jun; 21(24):245103. PubMed ID: 21693936
[TBL] [Abstract][Full Text] [Related]
44. High-accuracy quantum mechanical studies of pi-pi interactions in benzene dimers.
Sinnokrot MO; Sherrill CD
J Phys Chem A; 2006 Sep; 110(37):10656-68. PubMed ID: 16970354
[TBL] [Abstract][Full Text] [Related]
45. Effect of electron-donating and electron-withdrawing groups on peptide/single-walled carbon nanotube interactions.
Poenitzsch VZ; Winters DC; Xie H; Dieckmann GR; Dalton AB; Musselman IH
J Am Chem Soc; 2007 Nov; 129(47):14724-32. PubMed ID: 17985894
[TBL] [Abstract][Full Text] [Related]
46. Conformational mapping and energetics of saccharide-aromatic residue interactions: implications for the discrimination of anomers and epimers and in protein engineering.
Kumari M; Sunoj RB; Balaji PV
Org Biomol Chem; 2012 Jun; 10(21):4186-200. PubMed ID: 22527756
[TBL] [Abstract][Full Text] [Related]
47. A new force field (ECEPP-05) for peptides, proteins, and organic molecules.
Arnautova YA; Jagielska A; Scheraga HA
J Phys Chem B; 2006 Mar; 110(10):5025-44. PubMed ID: 16526746
[TBL] [Abstract][Full Text] [Related]
48. Redistributed charge and dipole schemes for combined quantum mechanical and molecular mechanical calculations.
Lin H; Truhlar DG
J Phys Chem A; 2005 May; 109(17):3991-4004. PubMed ID: 16833721
[TBL] [Abstract][Full Text] [Related]
49. 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]
50. Extending the treatment of backbone energetics in protein force fields: limitations of gas-phase quantum mechanics in reproducing protein conformational distributions in molecular dynamics simulations.
Mackerell AD; Feig M; Brooks CL
J Comput Chem; 2004 Aug; 25(11):1400-15. PubMed ID: 15185334
[TBL] [Abstract][Full Text] [Related]
51. Noncovalent interactions involving histidine: the effect of charge on pi-pi stacking and T-shaped interactions with the DNA nucleobases.
Churchill CD; Wetmore SD
J Phys Chem B; 2009 Dec; 113(49):16046-58. PubMed ID: 19904910
[TBL] [Abstract][Full Text] [Related]
52. Dispersion interactions of carbohydrates with condensate aromatic moieties: theoretical study on the CH-π interaction additive properties.
Kozmon S; Matuška R; Spiwok V; Koča J
Phys Chem Chem Phys; 2011 Aug; 13(31):14215-22. PubMed ID: 21755090
[TBL] [Abstract][Full Text] [Related]
53. Computational study of a nanobiosensor: a single-walled carbon nanotube functionalized with the coxsackie-adenovirus receptor.
Johnson RR; Rego BJ; Johnson AT; Klein ML
J Phys Chem B; 2009 Aug; 113(34):11589-93. PubMed ID: 19435308
[TBL] [Abstract][Full Text] [Related]
54. Evaluation of stabilization energies in π-π and cation-π interactions involved in biological macromolecules by ab initio calculations.
Tateno M; Hagiwara Y
J Phys Condens Matter; 2009 Feb; 21(6):064243. PubMed ID: 21715945
[TBL] [Abstract][Full Text] [Related]
55. Reference MP2/CBS and CCSD(T) quantum-chemical calculations on stacked adenine dimers. Comparison with DFT-D, MP2.5, SCS(MI)-MP2, M06-2X, CBS(SCS-D) and force field descriptions.
Morgado CA; Jurecka P; Svozil D; Hobza P; Sponer J
Phys Chem Chem Phys; 2010 Apr; 12(14):3522-34. PubMed ID: 20336251
[TBL] [Abstract][Full Text] [Related]
56. Aromatic Base Stacking in DNA: From ab initio Calculations to Molecular Dynamics Simulations.
Sponer J; Berger I; Spačková N; Leszczynski J; Hobza P
J Biomol Struct Dyn; 2000; 17 Suppl 1():1-24. PubMed ID: 22607400
[TBL] [Abstract][Full Text] [Related]
57. Energetics investigation on encapsulation of protein/peptide drugs in carbon nanotubes.
Chen Q; Wang Q; Liu YC; Wu T; Kang Y; Moore JD; Gubbins KE
J Chem Phys; 2009 Jul; 131(1):015101. PubMed ID: 19586122
[TBL] [Abstract][Full Text] [Related]
58. Interaction stresses in carbon nanotube-polymer nanocomposites.
Rahmat M; Das K; Hubert P
ACS Appl Mater Interfaces; 2011 Sep; 3(9):3425-31. PubMed ID: 21805984
[TBL] [Abstract][Full Text] [Related]
59. Theoretical study of the structures and electronic properties of all-surface KI and CsI nanocrystals encapsulated in single walled carbon nanotubes.
Bichoutskaia E; Pyper NC
J Chem Phys; 2008 Oct; 129(15):154701. PubMed ID: 19045212
[TBL] [Abstract][Full Text] [Related]
60. Adsorption of dialkyl phthalate esters on carbon nanotubes.
Wang F; Yao J; Sun K; Xing B
Environ Sci Technol; 2010 Sep; 44(18):6985-91. PubMed ID: 20715866
[TBL] [Abstract][Full Text] [Related]
[Previous] [Next] [New Search]