471 related articles for article (PubMed ID: 17918880)
1. Implicit nonpolar solvent models.
Tan C; Tan YH; Luo R
J Phys Chem B; 2007 Oct; 111(42):12263-74. PubMed ID: 17918880
[TBL] [Abstract][Full Text] [Related]
2. The SGB/NP hydration free energy model based on the surface generalized born solvent reaction field and novel nonpolar hydration free energy estimators.
Gallicchio E; Zhang LY; Levy RM
J Comput Chem; 2002 Apr; 23(5):517-29. PubMed ID: 11948578
[TBL] [Abstract][Full Text] [Related]
3. 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]
4. Coupling nonpolar and polar solvation free energies in implicit solvent models.
Dzubiella J; Swanson JM; McCammon JA
J Chem Phys; 2006 Feb; 124(8):084905. PubMed ID: 16512740
[TBL] [Abstract][Full Text] [Related]
5. Discrimination between native and intentionally misfolded conformations of proteins: ES/IS, a new method for calculating conformational free energy that uses both dynamics simulations with an explicit solvent and an implicit solvent continuum model.
Vorobjev YN; Almagro JC; Hermans J
Proteins; 1998 Sep; 32(4):399-413. PubMed ID: 9726412
[TBL] [Abstract][Full Text] [Related]
6. On the nonpolar hydration free energy of proteins: surface area and continuum solvent models for the solute-solvent interaction energy.
Levy RM; Zhang LY; Gallicchio E; Felts AK
J Am Chem Soc; 2003 Aug; 125(31):9523-30. PubMed ID: 12889983
[TBL] [Abstract][Full Text] [Related]
7. How well does Poisson-Boltzmann implicit solvent agree with explicit solvent? A quantitative analysis.
Tan C; Yang L; Luo R
J Phys Chem B; 2006 Sep; 110(37):18680-7. PubMed ID: 16970499
[TBL] [Abstract][Full Text] [Related]
8. Quantitative analysis of Poisson-Boltzmann implicit solvent in molecular dynamics.
Wang J; Tan C; Chanco E; Luo R
Phys Chem Chem Phys; 2010 Feb; 12(5):1194-202. PubMed ID: 20094685
[TBL] [Abstract][Full Text] [Related]
9. Application of the level-set method to the implicit solvation of nonpolar molecules.
Cheng LT; Dzubiella J; McCammon JA; Li B
J Chem Phys; 2007 Aug; 127(8):084503. PubMed ID: 17764265
[TBL] [Abstract][Full Text] [Related]
10. Modeling loop reorganization free energies of acetylcholinesterase: a comparison of explicit and implicit solvent models.
Olson MA
Proteins; 2004 Dec; 57(4):645-50. PubMed ID: 15481087
[TBL] [Abstract][Full Text] [Related]
11. Solvation model based on order parameters and a fast sampling method for the calculation of the solvation free energies of peptides.
Gu C; Lustig S; Trout BL
J Phys Chem B; 2006 Jan; 110(3):1476-84. PubMed ID: 16471699
[TBL] [Abstract][Full Text] [Related]
12. Implicit modeling of nonpolar solvation for simulating protein folding and conformational transitions.
Chen J; Brooks CL
Phys Chem Chem Phys; 2008 Jan; 10(4):471-81. PubMed ID: 18183310
[TBL] [Abstract][Full Text] [Related]
13. The treatment of solvation by a generalized Born model and a self-consistent charge-density functional theory-based tight-binding method.
Xie L; Liu H
J Comput Chem; 2002 Nov; 23(15):1404-15. PubMed ID: 12370943
[TBL] [Abstract][Full Text] [Related]
14. I-SOLV: a new surface-based empirical model for computing solvation free energies.
Wang R; Lin F; Xu Y; Cheng T
J Mol Graph Model; 2007 Jul; 26(1):368-77. PubMed ID: 17317248
[TBL] [Abstract][Full Text] [Related]
15. Are mixed explicit/implicit solvation models reliable for studying phosphate hydrolysis? A comparative study of continuum, explicit and mixed solvation models.
Kamerlin SC; Haranczyk M; Warshel A
Chemphyschem; 2009 May; 10(7):1125-34. PubMed ID: 19301306
[TBL] [Abstract][Full Text] [Related]
16. Improving the performance of the coupled reference interaction site model-hyper-netted chain (RISM-HNC)/simulation method for free energy of solvation.
Freedman H; Le L; Tuszynski JA; Truong TN
J Phys Chem B; 2008 Feb; 112(8):2340-8. PubMed ID: 18251537
[TBL] [Abstract][Full Text] [Related]
17. Communication: Free-energy analysis of hydration effect on protein with explicit solvent: equilibrium fluctuation of cytochrome c.
Karino Y; Matubayasi N
J Chem Phys; 2011 Jan; 134(4):041105. PubMed ID: 21280680
[TBL] [Abstract][Full Text] [Related]
18. Generalized Born and Explicit Solvent Models for Free Energy Calculations in Organic Solvents: Cyclodextrin Dimerization.
Zhang H; Tan T; van der Spoel D
J Chem Theory Comput; 2015 Nov; 11(11):5103-13. PubMed ID: 26574308
[TBL] [Abstract][Full Text] [Related]
19. 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]
20. 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]
[Next] [New Search]
