294 related articles for article (PubMed ID: 16494411)
1. Microscopic structure and solvation in dry and wet octanol.
Chen B; Siepmann JI
J Phys Chem B; 2006 Mar; 110(8):3555-63. PubMed ID: 16494411
[TBL] [Abstract][Full Text] [Related]
2. Structural characterization of interfacial n-octanol and 3-octanol using molecular dynamic simulations.
Napoleon RL; Moore PB
J Phys Chem B; 2006 Mar; 110(8):3666-73. PubMed ID: 16494422
[TBL] [Abstract][Full Text] [Related]
3. Comparison of two simulation methods to compute solvation free energies and partition coefficients.
Yang L; Ahmed A; Sandler SI
J Comput Chem; 2013 Feb; 34(4):284-93. PubMed ID: 23109246
[TBL] [Abstract][Full Text] [Related]
4. Studying thermodynamic aspects of sublimation, solubility and solvation processes and crystal structure analysis of some sulfonamides.
Perlovich GL; Strakhova NN; Kazachenko VP; Volkova TV; Tkachev VV; Schaper KJ; Raevsky OA
Int J Pharm; 2007 Apr; 334(1-2):115-24. PubMed ID: 17126506
[TBL] [Abstract][Full Text] [Related]
5. Dynamic and 2D NMR studies on hydrogen-bonding aggregates of cholesterol in low-polarity organic solvents.
Giordani C; Wakai C; Okamura E; Matubayasi N; Nakahara M
J Phys Chem B; 2006 Aug; 110(31):15205-11. PubMed ID: 16884236
[TBL] [Abstract][Full Text] [Related]
6. Chain conformation and solvent partitioning in reversed-phase liquid chromatography: Monte Carlo simulations for various water/methanol concentrations.
Zhang L; Rafferty JL; Siepmann JI; Chen B; Schure MR
J Chromatogr A; 2006 Sep; 1126(1-2):219-31. PubMed ID: 16820151
[TBL] [Abstract][Full Text] [Related]
7. Long-range influence of carbohydrates on the solvation dynamics of water--answers from terahertz absorption measurements and molecular modeling simulations.
Heyden M; Bründermann E; Heugen U; Niehues G; Leitner DM; Havenith M
J Am Chem Soc; 2008 Apr; 130(17):5773-9. PubMed ID: 18393415
[TBL] [Abstract][Full Text] [Related]
8. Accurate and efficient generalized born model based on solvent accessibility: derivation and application for LogP octanol/water prediction and flexible peptide docking.
Totrov M
J Comput Chem; 2004 Mar; 25(4):609-19. PubMed ID: 14735578
[TBL] [Abstract][Full Text] [Related]
9. Direct calculation of 1-octanol-water partition coefficients from adaptive biasing force molecular dynamics simulations.
Bhatnagar N; Kamath G; Chelst I; Potoff JJ
J Chem Phys; 2012 Jul; 137(1):014502. PubMed ID: 22779660
[TBL] [Abstract][Full Text] [Related]
10. The difference between partitioning and distribution from a thermodynamic point of view: NSAIDs as an example.
Perlovich GL; Kurkov SV; Bauer-Brandl A
Eur J Pharm Sci; 2006 Feb; 27(2-3):150-7. PubMed ID: 16253486
[TBL] [Abstract][Full Text] [Related]
11. Solvation energies of amino acid side chains and backbone in a family of host-guest pentapeptides.
Wimley WC; Creamer TP; White SH
Biochemistry; 1996 Apr; 35(16):5109-24. PubMed ID: 8611495
[TBL] [Abstract][Full Text] [Related]
12. Structures of neat and hydrated 1-octanol from computer simulations.
MacCallum JL; Tieleman DP
J Am Chem Soc; 2002 Dec; 124(50):15085-93. PubMed ID: 12475354
[TBL] [Abstract][Full Text] [Related]
13. Molecular dynamics study of the properties of capsaicin in an 1-octanol/water system.
Lambert JW; Sum AK
J Phys Chem B; 2006 Feb; 110(5):2351-7. PubMed ID: 16471824
[TBL] [Abstract][Full Text] [Related]
14. Estimating octanol-air partition coefficients with octanol-water partition coefficients and Henry's law constants.
Meylan WM; Howard PH
Chemosphere; 2005 Nov; 61(5):640-4. PubMed ID: 15907971
[TBL] [Abstract][Full Text] [Related]
15. Thermodynamic stability of hydrogen-bonded systems in polar and nonpolar environments.
Pasalić H; Aquino AJ; Tunega D; Haberhauer G; Gerzabek MH; Georg HC; Moraes TF; Coutinho K; Canuto S; Lischka H
J Comput Chem; 2010 Jul; 31(10):2046-55. PubMed ID: 20127744
[TBL] [Abstract][Full Text] [Related]
16. Quantitative structure-property relationship study of n-octanol-water partition coefficients of some of diverse drugs using multiple linear regression.
Ghasemi J; Saaidpour S
Anal Chim Acta; 2007 Dec; 604(2):99-106. PubMed ID: 17996529
[TBL] [Abstract][Full Text] [Related]
17. Thermodynamic study of sublimation, solubility, solvation, and distribution processes of atenolol and pindolol.
Perlovich GL; Volkova TV; Bauer-Brandl A
Mol Pharm; 2007; 4(6):929-35. PubMed ID: 17927262
[TBL] [Abstract][Full Text] [Related]
18. Physicochemical properties/descriptors governing the solubility and partitioning of chemicals in water-solvent-gas systems. Part 1. Partitioning between octanol and air.
Raevsky OA; Grigor'ev VJ; Raevskaja OE; Schaper KJ
SAR QSAR Environ Res; 2006 Jun; 17(3):285-97. PubMed ID: 16815768
[TBL] [Abstract][Full Text] [Related]
19. The effects of chain length, embedded polar groups, pressure, and pore shape on structure and retention in reversed-phase liquid chromatography: molecular-level insights from Monte Carlo simulations.
Rafferty JL; Siepmann JI; Schure MR
J Chromatogr A; 2009 Mar; 1216(12):2320-31. PubMed ID: 19203762
[TBL] [Abstract][Full Text] [Related]
20. Monte Carlo simulations of the solution structure of simple alcohols in water-acetonitrile mixtures.
Nagy PI; Erhardt PW
J Phys Chem B; 2005 Mar; 109(12):5855-72. PubMed ID: 16851638
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]