393 related articles for article (PubMed ID: 16606226)
1. Coupling hydrophobicity, dispersion, and electrostatics in continuum solvent models.
Dzubiella J; Swanson JM; McCammon JA
Phys Rev Lett; 2006 Mar; 96(8):087802. PubMed ID: 16606226
[TBL] [Abstract][Full Text] [Related]
2. 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]
3. Hydration in discrete water (II): from neutral to charged solutes.
Setny P
J Phys Chem B; 2015 May; 119(19):5970-8. PubMed ID: 25896299
[TBL] [Abstract][Full Text] [Related]
4. 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]
5. Mesoscopic simulation of adsorption of peptides in a hydrophobic chromatography system.
Makrodimitris K; Fernandez EJ; Woolf TB; O'Connell JP
Anal Chem; 2005 Mar; 77(5):1243-52. PubMed ID: 15732903
[TBL] [Abstract][Full Text] [Related]
6. FACTS: Fast analytical continuum treatment of solvation.
Haberthür U; Caflisch A
J Comput Chem; 2008 Apr; 29(5):701-15. PubMed ID: 17918282
[TBL] [Abstract][Full Text] [Related]
7. A self-consistent phase-field approach to implicit solvation of charged molecules with Poisson-Boltzmann electrostatics.
Sun H; Wen J; Zhao Y; Li B; McCammon JA
J Chem Phys; 2015 Dec; 143(24):243110. PubMed ID: 26723595
[TBL] [Abstract][Full Text] [Related]
8. Computer simulations with explicit solvent: recent progress in the thermodynamic decomposition of free energies and in modeling electrostatic effects.
Levy RM; Gallicchio E
Annu Rev Phys Chem; 1998; 49():531-67. PubMed ID: 9933909
[TBL] [Abstract][Full Text] [Related]
9. Update to the general amber force field for small solutes with an emphasis on free energies of hydration.
Jämbeck JP; Lyubartsev AP
J Phys Chem B; 2014 Apr; 118(14):3793-804. PubMed ID: 24684585
[TBL] [Abstract][Full Text] [Related]
10. Restoring charge asymmetry in continuum electrostatics calculations of hydration free energies.
Purisima EO; Sulea T
J Phys Chem B; 2009 Jun; 113(24):8206-9. PubMed ID: 19459599
[TBL] [Abstract][Full Text] [Related]
11. Towards a transferable nonelectrostatic model for continuum solvation: The electrostatic and nonelectrostatic energy correction model.
Vassetti D; Labat F
J Comput Chem; 2022 Jul; 43(20):1372-1387. PubMed ID: 35678272
[TBL] [Abstract][Full Text] [Related]
12. Universal solvation model based on solute electron density and on a continuum model of the solvent defined by the bulk dielectric constant and atomic surface tensions.
Marenich AV; Cramer CJ; Truhlar DG
J Phys Chem B; 2009 May; 113(18):6378-96. PubMed ID: 19366259
[TBL] [Abstract][Full Text] [Related]
13. Solvation forces on biomolecular structures: a comparison of explicit solvent and Poisson-Boltzmann models.
Wagoner J; Baker NA
J Comput Chem; 2004 Oct; 25(13):1623-9. PubMed ID: 15264256
[TBL] [Abstract][Full Text] [Related]
14. Weighted-density functionals for cavity formation and dispersion energies in continuum solvation models.
Sundararaman R; Gunceler D; Arias TA
J Chem Phys; 2014 Oct; 141(13):134105. PubMed ID: 25296782
[TBL] [Abstract][Full Text] [Related]
15. Comparison Study of Polar and Nonpolar Contributions to Solvation Free Energy.
Izairi R; Kamberaj H
J Chem Inf Model; 2017 Oct; 57(10):2539-2553. PubMed ID: 28880080
[TBL] [Abstract][Full Text] [Related]
16. Combining the polarizable Drude force field with a continuum electrostatic Poisson-Boltzmann implicit solvation model.
Aleksandrov A; Lin FY; Roux B; MacKerell AD
J Comput Chem; 2018 Aug; 39(22):1707-1719. PubMed ID: 29737546
[TBL] [Abstract][Full Text] [Related]
17. 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]
18. Reference interaction site model with hydrophobicity induced density inhomogeneity: An analytical theory to compute solvation properties of large hydrophobic solutes in the mixture of polyatomic solvent molecules.
Cao S; Sheong FK; Huang X
J Chem Phys; 2015 Aug; 143(5):054110. PubMed ID: 26254645
[TBL] [Abstract][Full Text] [Related]
19. Hydrophobicity in Lennard-Jones solutions.
Ishizaki M; Tanaka H; Koga K
Phys Chem Chem Phys; 2011 Feb; 13(6):2328-34. PubMed ID: 21116568
[TBL] [Abstract][Full Text] [Related]
20. Small molecule solvation changes due to the presence of salt are governed by the cost of solvent cavity formation and dispersion.
Li L; Fennell CJ; Dill KA
J Chem Phys; 2014 Dec; 141(22):22D518. PubMed ID: 25494789
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]