146 related articles for article (PubMed ID: 30113842)
1. Assimilating Radial Distribution Functions To Build Water Models with Improved Structural Properties.
Wade AD; Wang LP; Huggins DJ
J Chem Inf Model; 2018 Sep; 58(9):1766-1778. PubMed ID: 30113842
[TBL] [Abstract][Full Text] [Related]
2. 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]
3. A modified TIP3P water potential for simulation with Ewald summation.
Price DJ; Brooks CL
J Chem Phys; 2004 Nov; 121(20):10096-103. PubMed ID: 15549884
[TBL] [Abstract][Full Text] [Related]
4. Correlations in liquid water for the TIP3P-Ewald, TIP4P-2005, TIP5P-Ewald, and SWM4-NDP models.
Huggins DJ
J Chem Phys; 2012 Feb; 136(6):064518. PubMed ID: 22360206
[TBL] [Abstract][Full Text] [Related]
5. Systematic Parametrization of Divalent Metal Ions for the OPC3, OPC, TIP3P-FB, and TIP4P-FB Water Models.
Li Z; Song LF; Li P; Merz KM
J Chem Theory Comput; 2020 Jul; 16(7):4429-4442. PubMed ID: 32510956
[TBL] [Abstract][Full Text] [Related]
6. Development of Lennard-Jones and Buckingham Potentials for Lanthanoid Ions in Water.
Migliorati V; Serva A; Terenzio FM; D'Angelo P
Inorg Chem; 2017 Jun; 56(11):6214-6224. PubMed ID: 28493693
[TBL] [Abstract][Full Text] [Related]
7. Optimized Magnesium Force Field Parameters for Biomolecular Simulations with Accurate Solvation, Ion-Binding, and Water-Exchange Properties in SPC/E, TIP3P-fb, TIP4P/2005, TIP4P-Ew, and TIP4P-D.
Grotz KK; Schwierz N
J Chem Theory Comput; 2022 Jan; 18(1):526-537. PubMed ID: 34881568
[TBL] [Abstract][Full Text] [Related]
8. An efficient and accurate model for water with an improved non-bonded potential.
Mohebifar M; Rowley CN
J Chem Phys; 2020 Oct; 153(13):134105. PubMed ID: 33032419
[TBL] [Abstract][Full Text] [Related]
9. Towards a dissociative SPC-like water model II. The impact of Lennard-Jones and Buckingham non-coulombic forces.
Hofer TS; Wiedemair MJ
Phys Chem Chem Phys; 2018 Nov; 20(45):28523-28534. PubMed ID: 30418437
[TBL] [Abstract][Full Text] [Related]
10. Coarse-Graining of TIP4P/2005, TIP4P-Ew, SPC/E, and TIP3P to Monatomic Anisotropic Water Models Using Relative Entropy Minimization.
Lu J; Qiu Y; Baron R; Molinero V
J Chem Theory Comput; 2014 Sep; 10(9):4104-20. PubMed ID: 26588552
[TBL] [Abstract][Full Text] [Related]
11. 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]
12. Building Force Fields: An Automatic, Systematic, and Reproducible Approach.
Wang LP; Martinez TJ; Pande VS
J Phys Chem Lett; 2014 Jun; 5(11):1885-91. PubMed ID: 26273869
[TBL] [Abstract][Full Text] [Related]
13. Molecular dynamics simulations of sodium dodecyl sulfate micelles in water-the effect of the force field.
Tang X; Koenig PH; Larson RG
J Phys Chem B; 2014 Apr; 118(14):3864-80. PubMed ID: 24620851
[TBL] [Abstract][Full Text] [Related]
14. Non-polarizable force field of water based on the dielectric constant: TIP4P/ε.
Fuentes-Azcatl R; Alejandre J
J Phys Chem B; 2014 Feb; 118(5):1263-72. PubMed ID: 24422512
[TBL] [Abstract][Full Text] [Related]
15. Rational Design of Nonbonded Point Charge Models for Highly Charged Metal Cations with Lennard-Jones 12-6 Potential.
Zhang Y; Jiang Y; Qiu Y; Zhang H
J Chem Inf Model; 2021 Sep; 61(9):4613-4629. PubMed ID: 34467756
[TBL] [Abstract][Full Text] [Related]
16. Lennard-Jones Parameters Determined to Reproduce the Solubility of NaCl and KCl in SPC/E, TIP3P, and TIP4P/2005 Water.
Yagasaki T; Matsumoto M; Tanaka H
J Chem Theory Comput; 2020 Apr; 16(4):2460-2473. PubMed ID: 32207974
[TBL] [Abstract][Full Text] [Related]
17. Rational Design of Nonbonded Point Charge Models for Divalent Metal Cations with Lennard-Jones 12-6 Potential.
Zhang Y; Jiang Y; Peng J; Zhang H
J Chem Inf Model; 2021 Aug; 61(8):4031-4044. PubMed ID: 34313132
[TBL] [Abstract][Full Text] [Related]
18. Protein simulations with an optimized water model: cooperative helix formation and temperature-induced unfolded state collapse.
Best RB; Mittal J
J Phys Chem B; 2010 Nov; 114(46):14916-23. PubMed ID: 21038907
[TBL] [Abstract][Full Text] [Related]
19. Solvation theory to provide a molecular interpretation of the hydrophobic entropy loss of noble-gas hydration.
Irudayam SJ; Henchman RH
J Phys Condens Matter; 2010 Jul; 22(28):284108. PubMed ID: 21399280
[TBL] [Abstract][Full Text] [Related]
20. Rational Design of Nonbonded Point Charge Models for Monovalent Ions with Lennard-Jones 12-6 Potential.
Qiu Y; Jiang Y; Zhang Y; Zhang H
J Phys Chem B; 2021 Dec; 125(49):13502-13518. PubMed ID: 34860517
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
