186 related articles for article (PubMed ID: 21931889)
1. A Kirkwood-Buff force field for the aromatic amino acids.
Ploetz EA; Smith PE
Phys Chem Chem Phys; 2011 Oct; 13(40):18154-67. PubMed ID: 21931889
[TBL] [Abstract][Full Text] [Related]
2. A comparative Kirkwood-Buff study of aqueous methanol solutions modeled by the CHARMM additive and Drude polarizable force fields.
Lin B; He X; MacKerell AD
J Phys Chem B; 2013 Sep; 117(36):10572-80. PubMed ID: 23947568
[TBL] [Abstract][Full Text] [Related]
3. Nonadditive empirical force fields for short-chain linear alcohols: methanol to butanol. Hydration free energetics and Kirkwood-Buff analysis using charge equilibration models.
Zhong Y; Patel S
J Phys Chem B; 2010 Sep; 114(34):11076-92. PubMed ID: 20687517
[TBL] [Abstract][Full Text] [Related]
4. Kirkwood-Buff-Derived Force Field for Peptides and Proteins: Philosophy and Development of KBFF20.
Ploetz EA; Karunaweera S; Bentenitis N; Chen F; Dai S; Gee MB; Jiao Y; Kang M; Kariyawasam NL; Naleem N; Weerasinghe S; Smith PE
J Chem Theory Comput; 2021 May; 17(5):2964-2990. PubMed ID: 33878263
[TBL] [Abstract][Full Text] [Related]
5. Developing Force Fields from the Microscopic Structure of Solutions.
Ploetz EA; Bentenitis N; Smith PE
Fluid Phase Equilib; 2010 Mar; 290(1-2):43. PubMed ID: 20161692
[TBL] [Abstract][Full Text] [Related]
6. A Kirkwood-Buff derived force field for methanol and aqueous methanol solutions.
Weerasinghe S; Smith PE
J Phys Chem B; 2005 Aug; 109(31):15080-6. PubMed ID: 16852908
[TBL] [Abstract][Full Text] [Related]
7. Kirkwood-Buff integrals for ideal solutions.
Ploetz EA; Bentenitis N; Smith PE
J Chem Phys; 2010 Apr; 132(16):164501. PubMed ID: 20441282
[TBL] [Abstract][Full Text] [Related]
8. Kirkwood-Buff analysis of aqueous N-methylacetamide and acetamide solutions modeled by the CHARMM additive and Drude polarizable force fields.
Lin B; Lopes PE; Roux B; MacKerell AD
J Chem Phys; 2013 Aug; 139(8):084509. PubMed ID: 24007020
[TBL] [Abstract][Full Text] [Related]
9. Local fluctuations in solution mixtures.
Ploetz EA; Smith PE
J Chem Phys; 2011 Jul; 135(4):044506. PubMed ID: 21806137
[TBL] [Abstract][Full Text] [Related]
10. A Kirkwood-Buff derived force field for thiols, sulfides, and disulfides.
Bentenitis N; Cox NR; Smith PE
J Phys Chem B; 2009 Sep; 113(36):12306-15. PubMed ID: 19681588
[TBL] [Abstract][Full Text] [Related]
11. CH/pi interactions involving aromatic amino acids: refinement of the CHARMM tryptophan force field.
Macias AT; Mackerell AD
J Comput Chem; 2005 Nov; 26(14):1452-63. PubMed ID: 16088926
[TBL] [Abstract][Full Text] [Related]
12. Experimental triplet and quadruplet fluctuation densities and spatial distribution function integrals for liquid mixtures.
Ploetz EA; Smith PE
J Chem Phys; 2015 Mar; 142(9):094504. PubMed ID: 25747091
[TBL] [Abstract][Full Text] [Related]
13. Halothane solvation in water and organic solvents from molecular simulations with new polarizable potential function.
Subbotina JO; Johannes J; Lev B; Noskov SY
J Phys Chem B; 2010 May; 114(19):6401-8. PubMed ID: 20411978
[TBL] [Abstract][Full Text] [Related]
14. Theory and computer simulation of solute effects on the surface tension of liquids.
Chen F; Smith PE
J Phys Chem B; 2008 Jul; 112(30):8975-84. PubMed ID: 18610955
[TBL] [Abstract][Full Text] [Related]
15. To Polarize or Not to Polarize? Charge-on-Spring versus KBFF Models for Water and Methanol Bulk and Vapor-Liquid Interfacial Mixtures.
Ploetz EA; Rustenburg AS; Geerke DP; Smith PE
J Chem Theory Comput; 2016 May; 12(5):2373-87. PubMed ID: 27045390
[TBL] [Abstract][Full Text] [Related]
16. A Kirkwood-Buff derived force field for amides.
Kang M; Smith PE
J Comput Chem; 2006 Oct; 27(13):1477-85. PubMed ID: 16823811
[TBL] [Abstract][Full Text] [Related]
17. Reorientations of aromatic amino acids and their side chain models: anisotropy measurements and molecular dynamics simulations.
Kuczera K; Unruh J; Johnson CK; Jas GS
J Phys Chem A; 2010 Jan; 114(1):133-42. PubMed ID: 20055513
[TBL] [Abstract][Full Text] [Related]
18. Cosolvent preferential molecular interactions in aqueous solutions.
Priya MH; Ashbaugh HS; Paulaitis ME
J Phys Chem B; 2011 Nov; 115(46):13633-42. PubMed ID: 21992507
[TBL] [Abstract][Full Text] [Related]
19. Determination of partial molar volumes from free energy perturbation theory.
Vilseck JZ; Tirado-Rives J; Jorgensen WL
Phys Chem Chem Phys; 2015 Apr; 17(13):8407-15. PubMed ID: 25589343
[TBL] [Abstract][Full Text] [Related]
20. On the Kirkwood-Buff inversion procedure.
Smith PE
J Chem Phys; 2008 Sep; 129(12):124509. PubMed ID: 19045038
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
