116 related articles for article (PubMed ID: 34240910)
1. Three- and four-site models for heavy water: SPC/E-HW, TIP3P-HW, and TIP4P/2005-HW.
Linse JB; Hub JS
J Chem Phys; 2021 May; 154(19):194501. PubMed ID: 34240910
[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. Calculation of the water-octanol partition coefficient of cholesterol for SPC, TIP3P, and TIP4P water.
Espinosa JR; Wand CR; Vega C; Sanz E; Frenkel D
J Chem Phys; 2018 Dec; 149(22):224501. PubMed ID: 30553262
[TBL] [Abstract][Full Text] [Related]
4. On the transferability of ion parameters to the TIP4P/2005 water model using molecular dynamics simulations.
Döpke MF; Moultos OA; Hartkamp R
J Chem Phys; 2020 Jan; 152(2):024501. PubMed ID: 31941316
[TBL] [Abstract][Full Text] [Related]
5. 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]
6. 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]
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. 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]
9. Relation between the melting temperature and the temperature of maximum density for the most common models of water.
Vega C; Abascal JL
J Chem Phys; 2005 Oct; 123(14):144504. PubMed ID: 16238404
[TBL] [Abstract][Full Text] [Related]
10. Water structure-forming capabilities are temperature shifted for different models.
Shevchuk R; Prada-Gracia D; Rao F
J Phys Chem B; 2012 Jun; 116(25):7538-43. PubMed ID: 22651887
[TBL] [Abstract][Full Text] [Related]
11. The role of water models on the prediction of slip length of water in graphene nanochannels.
Celebi AT; Nguyen CT; Hartkamp R; Beskok A
J Chem Phys; 2019 Nov; 151(17):174705. PubMed ID: 31703484
[TBL] [Abstract][Full Text] [Related]
12. 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]
13. 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]
14. Free-energy differences of OPC-water and SPC/HW-heavy-water models using the Bennett acceptance ratio.
Khasawinah K; Alzoubi Z; Obeidat A
Heliyon; 2022 Aug; 8(8):e10000. PubMed ID: 35965979
[TBL] [Abstract][Full Text] [Related]
15. Sources of the deficiencies in the popular SPC/E and TIP3P models of water.
Kiss PT; Baranyai A
J Chem Phys; 2011 Feb; 134(5):054106. PubMed ID: 21303091
[TBL] [Abstract][Full Text] [Related]
16. Water desalination using graphene nanopores: influence of the water models used in simulations.
K VP; Kannam SK; Hartkamp R; Sathian SP
Phys Chem Chem Phys; 2018 Jun; 20(23):16005-16011. PubMed ID: 29850695
[TBL] [Abstract][Full Text] [Related]
17. Dynamics and energetics of hydrophobically confined water.
Bauer BA; Ou S; Patel S; Siva K
Phys Rev E Stat Nonlin Soft Matter Phys; 2012 May; 85(5 Pt 1):051506. PubMed ID: 23004766
[TBL] [Abstract][Full Text] [Related]
18. Radial distribution functions and densities for the SPC/E, TIP4P and TIP5P models for liquid water and ices Ih, Ic, II, III, IV, V, VI, VII, VIII, IX, XI and XII.
Vega C; McBride C; Sanz E; Abascal JL
Phys Chem Chem Phys; 2005 Apr; 7(7):1450-6. PubMed ID: 19787967
[TBL] [Abstract][Full Text] [Related]
19. Parameterization of Monovalent Ions for the OPC3, OPC, TIP3P-FB, and TIP4P-FB Water Models.
Sengupta A; Li Z; Song LF; Li P; Merz KM
J Chem Inf Model; 2021 Feb; 61(2):869-880. PubMed ID: 33538599
[TBL] [Abstract][Full Text] [Related]
20. Simulations of lipid bilayers using the CHARMM36 force field with the TIP3P-FB and TIP4P-FB water models.
Sajadi F; Rowley CN
PeerJ; 2018; 6():e5472. PubMed ID: 30128211
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]