274 related articles for article (PubMed ID: 16942107)
1. Hydration thermodynamic properties of amino acid analogues: a systematic comparison of biomolecular force fields and water models.
Hess B; van der Vegt NF
J Phys Chem B; 2006 Sep; 110(35):17616-26. PubMed ID: 16942107
[TBL] [Abstract][Full Text] [Related]
2. Solvation free energies of amino acid side chain analogs for common molecular mechanics water models.
Shirts MR; Pande VS
J Chem Phys; 2005 Apr; 122(13):134508. PubMed ID: 15847482
[TBL] [Abstract][Full Text] [Related]
3. A biomolecular force field based on the free enthalpy of hydration and solvation: the GROMOS force-field parameter sets 53A5 and 53A6.
Oostenbrink C; Villa A; Mark AE; van Gunsteren WF
J Comput Chem; 2004 Oct; 25(13):1656-76. PubMed ID: 15264259
[TBL] [Abstract][Full Text] [Related]
4. Force Field Benchmark of Amino Acids: I. Hydration and Diffusion in Different Water Models.
Zhang H; Yin C; Jiang Y; van der Spoel D
J Chem Inf Model; 2018 May; 58(5):1037-1052. PubMed ID: 29648448
[TBL] [Abstract][Full Text] [Related]
5. Assessment of biomolecular force fields for molecular dynamics simulations in a protein crystal.
Hu Z; Jiang J
J Comput Chem; 2010 Jan; 31(2):371-80. PubMed ID: 19479737
[TBL] [Abstract][Full Text] [Related]
6. Evaluating nonpolarizable nucleic acid force fields: a systematic comparison of the nucleobases hydration free energies and chloroform-to-water partition coefficients.
Wolf MG; Groenhof G
J Comput Chem; 2012 Oct; 33(28):2225-32. PubMed ID: 22782700
[TBL] [Abstract][Full Text] [Related]
7. Solvation free energy of amino acids and side-chain analogues.
Chang J; Lenhoff AM; Sandler SI
J Phys Chem B; 2007 Mar; 111(8):2098-106. PubMed ID: 17269814
[TBL] [Abstract][Full Text] [Related]
8. Force field evaluation for biomolecular simulation: free enthalpies of solvation of polar and apolar compounds in various solvents.
Geerke DP; van Gunsteren WF
Chemphyschem; 2006 Mar; 7(3):671-8. PubMed ID: 16514695
[TBL] [Abstract][Full Text] [Related]
9. Thermodynamics of micelle formation in water, hydrophobic processes and surfactant self-assemblies.
Fisicaro E; Compari C; Duce E; Biemmi M; Peroni M; Braibanti A
Phys Chem Chem Phys; 2008 Jul; 10(26):3903-14. PubMed ID: 18688390
[TBL] [Abstract][Full Text] [Related]
10. Computation of methodology-independent single-ion solvation properties from molecular simulations. IV. Optimized Lennard-Jones interaction parameter sets for the alkali and halide ions in water.
Reif MM; Hünenberger PH
J Chem Phys; 2011 Apr; 134(14):144104. PubMed ID: 21495739
[TBL] [Abstract][Full Text] [Related]
11. Surface tension of the most popular models of water by using the test-area simulation method.
Vega C; de Miguel E
J Chem Phys; 2007 Apr; 126(15):154707. PubMed ID: 17461659
[TBL] [Abstract][Full Text] [Related]
12. Electrostatic polarization effects and hydrophobic hydration in ethanol-water solutions from molecular dynamics simulations.
Zhong Y; Patel S
J Phys Chem B; 2009 Jan; 113(3):767-78. PubMed ID: 19115819
[TBL] [Abstract][Full Text] [Related]
13. Free energy of liquid water from a computer simulation via cell theory.
Henchman RH
J Chem Phys; 2007 Feb; 126(6):064504. PubMed ID: 17313226
[TBL] [Abstract][Full Text] [Related]
14. Accuracy of free energies of hydration using CM1 and CM3 atomic charges.
Udier-Blagović M; Morales De Tirado P; Pearlman SA; Jorgensen WL
J Comput Chem; 2004 Aug; 25(11):1322-32. PubMed ID: 15185325
[TBL] [Abstract][Full Text] [Related]
15. Hydration Free Energies of Multifunctional Nitroaromatic Compounds.
Ahmed A; Sandler SI
J Chem Theory Comput; 2013 Jun; 9(6):2774-85. PubMed ID: 26583868
[TBL] [Abstract][Full Text] [Related]
16. Optimization of linear and branched alkane interactions with water to simulate hydrophobic hydration.
Ashbaugh HS; Liu L; Surampudi LN
J Chem Phys; 2011 Aug; 135(5):054510. PubMed ID: 21823715
[TBL] [Abstract][Full Text] [Related]
17. Hydration free energies of monovalent ions in transferable intermolecular potential four point fluctuating charge water: an assessment of simulation methodology and force field performance and transferability.
Warren GL; Patel S
J Chem Phys; 2007 Aug; 127(6):064509. PubMed ID: 17705614
[TBL] [Abstract][Full Text] [Related]
18. Kinetic investigations of the process of encapsulation of small hydrocarbons into a cavitand-porphyrin.
Nakazawa J; Sakae Y; Aida M; Naruta Y
J Org Chem; 2007 Dec; 72(25):9448-55. PubMed ID: 17979283
[TBL] [Abstract][Full Text] [Related]
19. The melting temperature of the most common models of water.
Vega C; Sanz E; Abascal JL
J Chem Phys; 2005 Mar; 122(11):114507. PubMed ID: 15836229
[TBL] [Abstract][Full Text] [Related]
20. Detailed considerations for a balanced and broadly applicable force field: a study of substituted benzenes modeled with OPLS-AA.
Price DJ; Brooks CL
J Comput Chem; 2005 Nov; 26(14):1529-41. PubMed ID: 16108048
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
