417 related articles for article (PubMed ID: 16514695)
1. 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]
2. 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]
3. Calculation of the free energy of polarization: quantifying the effect of explicitly treating electronic polarization on the transferability of force-field parameters.
Geerke DP; van Gunsteren WF
J Phys Chem B; 2007 Jun; 111(23):6425-36. PubMed ID: 17508737
[TBL] [Abstract][Full Text] [Related]
4. Calculation of the free energy of solvation for neutral analogs of amino acid side chains.
Villa A; Mark AE
J Comput Chem; 2002 Apr; 23(5):548-53. PubMed ID: 11948581
[TBL] [Abstract][Full Text] [Related]
5. 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]
6. Halothane solvation in water and organic solvents from molecular simulations with new polarizable potential function.
Subbotina JO; Johannes J; Lev B; Noskov SY
J Phys Chem B; 2010 May; 114(19):6401-8. PubMed ID: 20411978
[TBL] [Abstract][Full Text] [Related]
7. Rational design of ion force fields based on thermodynamic solvation properties.
Horinek D; Mamatkulov SI; Netz RR
J Chem Phys; 2009 Mar; 130(12):124507. PubMed ID: 19334851
[TBL] [Abstract][Full Text] [Related]
8. How sensitive are nanosecond molecular dynamics simulations of proteins to changes in the force field?
Villa A; Fan H; Wassenaar T; Mark AE
J Phys Chem B; 2007 May; 111(21):6015-25. PubMed ID: 17489626
[TBL] [Abstract][Full Text] [Related]
9. Amine hydration: a united-atom force-field solution.
Oostenbrink C; Juchli D; van Gunsteren WF
Chemphyschem; 2005 Sep; 6(9):1800-4. PubMed ID: 16075431
[TBL] [Abstract][Full Text] [Related]
10. Hydration free energies of amino acids: why side chain analog data are not enough.
König G; Boresch S
J Phys Chem B; 2009 Jul; 113(26):8967-74. PubMed ID: 19507836
[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. Molecular dynamics study of the solvation of an alpha-helical transmembrane peptide by DMSO.
Duarte AM; van Mierlo CP; Hemminga MA
J Phys Chem B; 2008 Jul; 112(29):8664-71. PubMed ID: 18582096
[TBL] [Abstract][Full Text] [Related]
13. 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]
14. An efficient mean solvation force model for use in molecular dynamics simulations of proteins in aqueous solution.
Fraternali F; Van Gunsteren WF
J Mol Biol; 1996 Mar; 256(5):939-48. PubMed ID: 8601844
[TBL] [Abstract][Full Text] [Related]
15. 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]
16. 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]
17. Molecular density functional theory of solvation: from polar solvents to water.
Zhao S; Ramirez R; Vuilleumier R; Borgis D
J Chem Phys; 2011 May; 134(19):194102. PubMed ID: 21599039
[TBL] [Abstract][Full Text] [Related]
18. 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]
19. 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]
20. Position-resolved free energy of solvation for amino acids in lipid membranes from molecular dynamics simulations.
Johansson AC; Lindahl E
Proteins; 2008 Mar; 70(4):1332-44. PubMed ID: 17876818
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]