405 related articles for article (PubMed ID: 18500400)
1. Can the anomalous aqueous solubility of beta-cyclodextrin be explained by its hydration free energy alone?
Cai W; Sun T; Shao X; Chipot C
Phys Chem Chem Phys; 2008 Jun; 10(22):3236-43. PubMed ID: 18500400
[TBL] [Abstract][Full Text] [Related]
2. Study of the interaction between progesterone and beta-cyclodextrin by electrochemical techniques and steered molecular dynamics.
Caballero J; Zamora C; Aguayo D; Yañez C; González-Nilo FD
J Phys Chem B; 2008 Aug; 112(33):10194-201. PubMed ID: 18665626
[TBL] [Abstract][Full Text] [Related]
3. Aggregation of cyclodextrins as an important factor to determine their complexation behavior.
Bikádi Z; Kurdi R; Balogh S; Szemán J; Hazai E
Chem Biodivers; 2006 Nov; 3(11):1266-78. PubMed ID: 17193241
[TBL] [Abstract][Full Text] [Related]
4. Hydration properties of α-, β-, and γ-cyclodextrins from molecular dynamics simulations.
Jana M; Bandyopadhyay S
J Phys Chem B; 2011 May; 115(19):6347-57. PubMed ID: 21510684
[TBL] [Abstract][Full Text] [Related]
5. Diffusion of water molecules in crystalline beta-cyclodextrin hydrates.
Braesicke K; Steiner T; Saenger W; Knapp EW
J Mol Graph Model; 2000 Apr; 18(2):143-52, 167-8. PubMed ID: 10994518
[TBL] [Abstract][Full Text] [Related]
6. Microscopic investigation of the hydration properties of cyclodextrin and its substituted forms.
Jana M; Bandyopadhyay S
Langmuir; 2009 Nov; 25(22):13084-91. PubMed ID: 19739659
[TBL] [Abstract][Full Text] [Related]
7. Conformation, dynamics, solvation and relative stabilities of selected beta-hexopyranoses in water: a molecular dynamics study with the GROMOS 45A4 force field.
Kräutler V; Müller M; Hünenberger PH
Carbohydr Res; 2007 Oct; 342(14):2097-124. PubMed ID: 17573054
[TBL] [Abstract][Full Text] [Related]
8. Classical molecular-dynamics simulation of the hydroxyl radical in water.
Campo MG; Grigera JR
J Chem Phys; 2005 Aug; 123(8):084507. PubMed ID: 16164312
[TBL] [Abstract][Full Text] [Related]
9. Molecular electrostatic potentials and hydrogen bonding in alpha-, beta-, and gamma-cyclodextrins.
Pinjari RV; Joshi KA; Gejji SP
J Phys Chem A; 2006 Dec; 110(48):13073-80. PubMed ID: 17134168
[TBL] [Abstract][Full Text] [Related]
10. Structure and dynamics of beta-cyclodextrin in aqueous solution at the density-functional tight binding level.
Heine T; Dos Santos HF; Patchkovskii S; Duarte HA
J Phys Chem A; 2007 Jul; 111(26):5648-54. PubMed ID: 17402718
[TBL] [Abstract][Full Text] [Related]
11. Theoretical studies on hydrogen bonding, NMR chemical shifts and electron density topography in alpha, beta and gamma-cyclodextrin conformers.
Pinjari RV; Joshi KA; Gejji SP
J Phys Chem A; 2007 Dec; 111(51):13583-9. PubMed ID: 18052135
[TBL] [Abstract][Full Text] [Related]
12. Molecular dynamics simulations of trehalose as a 'dynamic reducer' for solvent water molecules in the hydration shell.
Choi Y; Cho KW; Jeong K; Jung S
Carbohydr Res; 2006 Jun; 341(8):1020-8. PubMed ID: 16546147
[TBL] [Abstract][Full Text] [Related]
13. In silico prediction of drug solubility: 1. Free energy of hydration.
Westergren J; Lindfors L; Höglund T; Lüder K; Nordholm S; Kjellander R
J Phys Chem B; 2007 Feb; 111(7):1872-82. PubMed ID: 17266351
[TBL] [Abstract][Full Text] [Related]
14. Computational studies of liquid water and diluted water in carbon tetrachloride.
Chang TM; Dang LX
J Phys Chem A; 2008 Feb; 112(8):1694-700. PubMed ID: 18232676
[TBL] [Abstract][Full Text] [Related]
15. Low-frequency vibrational spectrum of water around cyclodextrin and its methyl-substituted derivatives.
Jana M; Bandyopadhyay S
Langmuir; 2010 Sep; 26(17):14097-102. PubMed ID: 20704347
[TBL] [Abstract][Full Text] [Related]
16. Validating a strategy for molecular dynamics simulations of cyclodextrin inclusion complexes through single-crystal X-ray and NMR experimental data: a case study.
Raffaini G; Ganazzoli F; Malpezzi L; Fuganti C; Fronza G; Panzeri W; Mele A
J Phys Chem B; 2009 Jul; 113(27):9110-22. PubMed ID: 19526998
[TBL] [Abstract][Full Text] [Related]
17. B3LYP/6-311++G** study of monohydrates of alpha- and beta-D-glucopyranose: hydrogen bonding, stress energies, and effect of hydration on internal coordinates.
Momany FA; Appell M; Strati G; Willett JL
Carbohydr Res; 2004 Feb; 339(3):553-67. PubMed ID: 15013392
[TBL] [Abstract][Full Text] [Related]
18. Inclusion mechanism of steroid drugs into beta-cyclodextrins. Insights from free energy calculations.
Cai W; Sun T; Liu P; Chipot C; Shao X
J Phys Chem B; 2009 Jun; 113(22):7836-43. PubMed ID: 19425557
[TBL] [Abstract][Full Text] [Related]
19. Crystal structure of the supramolecular linear polymer formed by the self-assembly of mono-6-deoxy-6-adamantylamide-beta-cyclodextrin.
Tellini VH; Jover A; Galantini L; Meijide F; Tato JV
Acta Crystallogr B; 2004 Apr; 60(Pt 2):204-10. PubMed ID: 15017094
[TBL] [Abstract][Full Text] [Related]
20. Study of the physicochemical properties of trimethoprim with beta-cyclodextrin in solution.
Li N; Zhang YH; Xiong XL; Li ZG; Jin XH; Wu YN
J Pharm Biomed Anal; 2005 Jun; 38(2):370-4. PubMed ID: 15925234
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
