414 related articles for article (PubMed ID: 18570394)
21. Pairwise interactions between linear alkanes in water measured by AFM force spectroscopy.
Ray C; Brown JR; Kirkpatrick A; Akhremitchev BB
J Am Chem Soc; 2008 Jul; 130(30):10008-18. PubMed ID: 18597457
[TBL] [Abstract][Full Text] [Related]
22. Molecular dynamics simulations of liquid methanol and methanol-water mixtures with polarizable models.
Yu H; Geerke DP; Liu H; van Gunsteren WF
J Comput Chem; 2006 Oct; 27(13):1494-504. PubMed ID: 16838298
[TBL] [Abstract][Full Text] [Related]
23. Polarizable empirical force field for aromatic compounds based on the classical drude oscillator.
Lopes PE; Lamoureux G; Roux B; Mackerell AD
J Phys Chem B; 2007 Mar; 111(11):2873-85. PubMed ID: 17388420
[TBL] [Abstract][Full Text] [Related]
24. CHARMM fluctuating charge force field for proteins: I parameterization and application to bulk organic liquid simulations.
Patel S; Brooks CL
J Comput Chem; 2004 Jan; 25(1):1-15. PubMed ID: 14634989
[TBL] [Abstract][Full Text] [Related]
25. GolP: an atomistic force-field to describe the interaction of proteins with Au(111) surfaces in water.
Iori F; Di Felice R; Molinari E; Corni S
J Comput Chem; 2009 Jul; 30(9):1465-76. PubMed ID: 19037859
[TBL] [Abstract][Full Text] [Related]
26. Ionic liquids: dissecting the enthalpies of vaporization.
Köddermann T; Paschek D; Ludwig R
Chemphyschem; 2008 Mar; 9(4):549-55. PubMed ID: 18283693
[TBL] [Abstract][Full Text] [Related]
27. Spectroscopically determined force field for water dimer: physically enhanced treatment of hydrogen bonding in molecular mechanics energy functions.
Mannfors B; Palmo K; Krimm S
J Phys Chem A; 2008 Dec; 112(49):12667-78. PubMed ID: 19012387
[TBL] [Abstract][Full Text] [Related]
28. 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]
29. Conformational simulations of aqueous solvated alpha-conotoxin GI and its single disulfide analogues using a polarizable force field model.
Jiang N; Ma J
J Phys Chem A; 2008 Oct; 112(40):9854-67. PubMed ID: 18788721
[TBL] [Abstract][Full Text] [Related]
30. 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]
31. Revised Charge Equilibration Parameters for More Accurate Hydration Free Energies of Alkanes.
Davis JE; Patel S
Chem Phys Lett; 2010 Jan; 484(4-6):173. PubMed ID: 20161648
[TBL] [Abstract][Full Text] [Related]
32. Hydration free energies of monovalent ions in transferable intermolecular potential four point fluctuating charge water: an assessment of simulation methodology and force field performance and transferability.
Warren GL; Patel S
J Chem Phys; 2007 Aug; 127(6):064509. PubMed ID: 17705614
[TBL] [Abstract][Full Text] [Related]
33. Optimization of the anisotropic united atoms intermolecular potential for n-alkanes: improvement of transport properties.
Nieto-Draghi C; Ungerer P; Rousseau B
J Chem Phys; 2006 Jul; 125(4):44517. PubMed ID: 16942166
[TBL] [Abstract][Full Text] [Related]
34. The electronegativity equalization method and the split charge equilibration applied to organic systems: parametrization, validation, and comparison.
Verstraelen T; Van Speybroeck V; Waroquier M
J Chem Phys; 2009 Jul; 131(4):044127. PubMed ID: 19655857
[TBL] [Abstract][Full Text] [Related]
35. Direct computer simulation of water-mediated force between supported phospholipid membranes.
Pertsin A; Platonov D; Grunze M
J Chem Phys; 2005 Jun; 122(24):244708. PubMed ID: 16035794
[TBL] [Abstract][Full Text] [Related]
36. Conformation of alkanes in the gas phase and pure liquids.
Thomas LL; Christakis TJ; Jorgensen WL
J Phys Chem B; 2006 Oct; 110(42):21198-204. PubMed ID: 17048945
[TBL] [Abstract][Full Text] [Related]
37. General methodology to optimize damping functions to account for charge penetration effects in electrostatic calculations using multicentered multipolar expansions.
Werneck AS; Filho TM; Dardenne LE
J Phys Chem A; 2008 Jan; 112(2):268-80. PubMed ID: 18095663
[TBL] [Abstract][Full Text] [Related]
38. Efficient optimization of van der Waals parameters from bulk properties.
Burger SK; Cisneros GA
J Comput Chem; 2013 Oct; 34(27):2313-9. PubMed ID: 23828265
[TBL] [Abstract][Full Text] [Related]
39. New model potentials for sulfur-copper(I) and sulfur-mercury(II) interactions in proteins: from ab initio to molecular dynamics.
Fuchs JF; Nedev H; Poger D; Ferrand M; Brenner V; Dognon JP; Crouzy S
J Comput Chem; 2006 May; 27(7):837-56. PubMed ID: 16541427
[TBL] [Abstract][Full Text] [Related]
40. On the behavior of solutions of xenon in liquid n-alkanes: solubility of xenon in n-pentane and n-hexane.
Bonifácio RP; Martins LF; McCabe C; Filipe EJ
J Phys Chem B; 2010 Dec; 114(48):15897-904. PubMed ID: 21067166
[TBL] [Abstract][Full Text] [Related]
[Previous] [Next] [New Search]
