110 related articles for article (PubMed ID: 33032419)
21. 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]
22. Supra-Atomic Coarse-Grained GROMOS Force Field for Aliphatic Hydrocarbons in the Liquid Phase.
Eichenberger AP; Huang W; Riniker S; van Gunsteren WF
J Chem Theory Comput; 2015 Jul; 11(7):2925-37. PubMed ID: 26575730
[TBL] [Abstract][Full Text] [Related]
23. 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]
24. Shortcomings of the standard Lennard-Jones dispersion term in water models, studied with force matching.
Nicolini P; Guàrdia E; Masia M
J Chem Phys; 2013 Nov; 139(18):184111. PubMed ID: 24320258
[TBL] [Abstract][Full Text] [Related]
25. A non-polarizable model of water that yields the dielectric constant and the density anomalies of the liquid: TIP4Q.
Alejandre J; Chapela GA; Saint-Martin H; Mendoza N
Phys Chem Chem Phys; 2011 Nov; 13(44):19728-40. PubMed ID: 21922085
[TBL] [Abstract][Full Text] [Related]
26. Development of an improved four-site water model for biomolecular simulations: TIP4P-Ew.
Horn HW; Swope WC; Pitera JW; Madura JD; Dick TJ; Hura GL; Head-Gordon T
J Chem Phys; 2004 May; 120(20):9665-78. PubMed ID: 15267980
[TBL] [Abstract][Full Text] [Related]
27. Contributions of Pauli repulsions to the energetics and physical properties computed in QM/MM methods.
Jin Y; Johnson ER; Hu X; Yang W; Hu H
J Comput Chem; 2013 Oct; 34(27):2380-8. PubMed ID: 23922165
[TBL] [Abstract][Full Text] [Related]
28. Density-Dependent Formulation of Dispersion-Repulsion Interactions in Hybrid Multiscale Quantum/Molecular Mechanics (QM/MM) Models.
Curutchet C; Cupellini L; Kongsted J; Corni S; Frediani L; Steindal AH; Guido CA; Scalmani G; Mennucci B
J Chem Theory Comput; 2018 Mar; 14(3):1671-1681. PubMed ID: 29439575
[TBL] [Abstract][Full Text] [Related]
29. Charge-on-spring polarizable water models revisited: from water clusters to liquid water to ice.
Yu H; van Gunsteren WF
J Chem Phys; 2004 Nov; 121(19):9549-64. PubMed ID: 15538877
[TBL] [Abstract][Full Text] [Related]
30. Classical Pauli repulsion: An anisotropic, atomic multipole model.
Rackers JA; Ponder JW
J Chem Phys; 2019 Feb; 150(8):084104. PubMed ID: 30823770
[TBL] [Abstract][Full Text] [Related]
31. SAFT-γ force field for the simulation of molecular fluids: 2. Coarse-grained models of greenhouse gases, refrigerants, and long alkanes.
Avendaño C; Lafitte T; Adjiman CS; Galindo A; Müller EA; Jackson G
J Phys Chem B; 2013 Mar; 117(9):2717-33. PubMed ID: 23311931
[TBL] [Abstract][Full Text] [Related]
32. A novel approach for designing simple point charge models for liquid water with three interaction sites.
Glättli A; Daura X; Van Gunsteren WF
J Comput Chem; 2003 Jul; 24(9):1087-96. PubMed ID: 12759908
[TBL] [Abstract][Full Text] [Related]
33. SAFT-γ force field for the simulation of molecular fluids. 1. A single-site coarse grained model of carbon dioxide.
Avendaño C; Lafitte T; Galindo A; Adjiman CS; Jackson G; Müller EA
J Phys Chem B; 2011 Sep; 115(38):11154-69. PubMed ID: 21815624
[TBL] [Abstract][Full Text] [Related]
34. A new force field of formamide and the effect of the dielectric constant on miscibility.
de la Luz AP; Méndez-Maldonado GA; Núñez-Rojas E; Bresme F; Alejandre J
J Chem Theory Comput; 2015 Jun; 11(6):2792-800. PubMed ID: 26575572
[TBL] [Abstract][Full Text] [Related]
35. Sodium Chloride, NaCl/ϵ: New Force Field.
Fuentes-Azcatl R; Barbosa MC
J Phys Chem B; 2016 Mar; 120(9):2460-70. PubMed ID: 26890321
[TBL] [Abstract][Full Text] [Related]
36. Gaussian-Charge Polarizable and Nonpolarizable Models for CO2.
Jiang H; Moultos OA; Economou IG; Panagiotopoulos AZ
J Phys Chem B; 2016 Feb; 120(5):984-94. PubMed ID: 26788614
[TBL] [Abstract][Full Text] [Related]
37. Determining force field parameters using a physically based equation of state.
van Westen T; Vlugt TJ; Gross J
J Phys Chem B; 2011 Jun; 115(24):7872-80. PubMed ID: 21568280
[TBL] [Abstract][Full Text] [Related]
38. 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]
39. Physically motivated, robust, ab initio force fields for CO2 and N2.
Yu K; McDaniel JG; Schmidt JR
J Phys Chem B; 2011 Aug; 115(33):10054-63. PubMed ID: 21736354
[TBL] [Abstract][Full Text] [Related]
40. Polarizable Force Field with a σ-Hole for Liquid and Aqueous Bromomethane.
Adluri AN; Murphy JN; Tozer T; Rowley CN
J Phys Chem B; 2015 Oct; 119(42):13422-32. PubMed ID: 26419599
[TBL] [Abstract][Full Text] [Related]
[Previous] [Next] [New Search]