133 related articles for article (PubMed ID: 34643406)
1. Influence of Monovalent Salts on α-Glycine Crystal Growth from Aqueous Solution: Molecular Dynamics Simulations at Constant Supersaturation Conditions.
Elts E; Luxenburger F; Briesen H
J Phys Chem B; 2021 Oct; 125(42):11732-11741. PubMed ID: 34643406
[TBL] [Abstract][Full Text] [Related]
2. Temperature-dependent solubilities and mean ionic activity coefficients of alkali halides in water from molecular dynamics simulations.
Mester Z; Panagiotopoulos AZ
J Chem Phys; 2015 Jul; 143(4):044505. PubMed ID: 26233143
[TBL] [Abstract][Full Text] [Related]
3. Force field for molecular dynamics studies of glycine/water mixtures in crystal/solution environments.
Gnanasambandam S; Hu Z; Jiang J; Rajagopalan R
J Phys Chem B; 2009 Jan; 113(3):752-8. PubMed ID: 19115812
[TBL] [Abstract][Full Text] [Related]
4. A computational study of the mechanism of the selective crystallization of α- and β-glycine from water and methanol-water mixture.
Chen J; Trout BL
J Phys Chem B; 2010 Nov; 114(43):13764-72. PubMed ID: 20936837
[TBL] [Abstract][Full Text] [Related]
5. Molecular dynamics simulations of glycine crystal-solution interface.
Banerjee S; Briesen H
J Chem Phys; 2009 Nov; 131(18):184705. PubMed ID: 19916621
[TBL] [Abstract][Full Text] [Related]
6. Assessment of GAFF and OPLS Force Fields for Urea: Crystal and Aqueous Solution Properties.
Anker S; McKechnie D; Mulheran P; Sefcik J; Johnston K
Cryst Growth Des; 2024 Jan; 24(1):143-158. PubMed ID: 38188266
[TBL] [Abstract][Full Text] [Related]
7. GAFF/IPolQ-Mod+LJ-Fit: Optimized force field parameters for solvation free energy predictions.
Mecklenfeld A; Raabe G
ADMET DMPK; 2020; 8(3):274-296. PubMed ID: 35300308
[TBL] [Abstract][Full Text] [Related]
8. Solubility of KF and NaCl in water by molecular simulation.
Sanz E; Vega C
J Chem Phys; 2007 Jan; 126(1):014507. PubMed ID: 17212500
[TBL] [Abstract][Full Text] [Related]
9. Freezing point depression of salt aqueous solutions using the Madrid-2019 model.
Lamas CP; Vega C; Noya EG
J Chem Phys; 2022 Apr; 156(13):134503. PubMed ID: 35395902
[TBL] [Abstract][Full Text] [Related]
10. Conformation dynamics and polarization effect of α,α-trehalose in a vacuum and in aqueous and salt solutions.
Kan Z; Yan X; Ma J
J Phys Chem A; 2015 Mar; 119(9):1573-89. PubMed ID: 25506668
[TBL] [Abstract][Full Text] [Related]
11. Molecular Dynamics Investigation of Clustering in Aqueous Glycine Solutions.
Sweatman MB; Afify ND; Ferreiro-Rangel CA; Jorge M; Sefcik J
J Phys Chem B; 2022 Jun; 126(25):4711-4722. PubMed ID: 35729500
[TBL] [Abstract][Full Text] [Related]
12. Observations on AMBER Force Field Performance under the Conditions of Low pH and High Salt Concentrations.
Liu H; Tan Q; Han L; Huo S
J Phys Chem B; 2017 Oct; 121(42):9838-9847. PubMed ID: 28962533
[TBL] [Abstract][Full Text] [Related]
13. Solubility of Organic Salts in Solvent-Antisolvent Mixtures: A Combined Experimental and Molecular Dynamics Simulations Approach.
Bjelobrk Z; Rajagopalan AK; Mendels D; Karmakar T; Parrinello M; Mazzotti M
J Chem Theory Comput; 2022 Aug; 18(8):4952-4959. PubMed ID: 35833664
[TBL] [Abstract][Full Text] [Related]
14. Molecular simulation study on Hofmeister cations and the aqueous solubility of benzene.
Ganguly P; Hajari T; van der Vegt NF
J Phys Chem B; 2014 May; 118(20):5331-9. PubMed ID: 24792435
[TBL] [Abstract][Full Text] [Related]
15. Nonclassical Crystal Growth as Explanation for the Riddle of Polarity in Centrosymmetric Glycine Crystals.
Meirzadeh E; Sapir L; Cohen H; Cohen SR; Ehre D; Harries D; Lahav M; Lubomirsky I
J Am Chem Soc; 2016 Nov; 138(44):14756-14763. PubMed ID: 27779856
[TBL] [Abstract][Full Text] [Related]
16. Hybrid density functional-molecular mechanics calculations for core-electron binding energies of glycine in water solution.
Niskanen J; Arul Murugan N; Rinkevicius Z; Vahtras O; Li C; Monti S; Carravetta V; Agren H
Phys Chem Chem Phys; 2013 Jan; 15(1):244-54. PubMed ID: 23160171
[TBL] [Abstract][Full Text] [Related]
17. Effect of KCl addition on crystal growth and spectral properties of glycine single crystals.
Sekar C; Parimaladevi R
Spectrochim Acta A Mol Biomol Spectrosc; 2009 Dec; 74(5):1160-4. PubMed ID: 19864178
[TBL] [Abstract][Full Text] [Related]
18. Solubility of lysozyme in the presence of aqueous chloride salts: common-ion effect and its role on solubility and crystal thermodynamics.
Annunziata O; Payne A; Wang Y
J Am Chem Soc; 2008 Oct; 130(40):13347-52. PubMed ID: 18788805
[TBL] [Abstract][Full Text] [Related]
19. Developing force fields when experimental data is sparse: AMBER/GAFF-compatible parameters for inorganic and alkyl oxoanions.
Kashefolgheta S; Vila Verde A
Phys Chem Chem Phys; 2017 Aug; 19(31):20593-20607. PubMed ID: 28731091
[TBL] [Abstract][Full Text] [Related]
20. Molecular dynamics simulations of hydrophobic associations in aqueous salt solutions indicate a connection between water hydrogen bonding and the Hofmeister effect.
Thomas AS; Elcock AH
J Am Chem Soc; 2007 Dec; 129(48):14887-98. PubMed ID: 17994735
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
