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Level-Set Variational Implicit-Solvent Modeling of Biomolecules with the Coulomb-Field Approximation.
Wang Z, Che J, Cheng LT, Dzubiella J, Li B, McCammon JA. Wang Z, et al. Among authors: dzubiella j. J Chem Theory Comput. 2012 Feb 14;8(2):386-397. doi: 10.1021/ct200647j. Epub 2011 Dec 19. J Chem Theory Comput. 2012. PMID: 22346739 Free PMC article.
Central in the variational implicit-solvent model (VISM) [Dzubiella, Swanson, and McCammon Phys. Rev. Lett.2006, 96, 087802 and J. ...
Central in the variational implicit-solvent model (VISM) [Dzubiella, Swanson, and McCammon Phys. Rev. Lett.2006, 96, 087802 and J …
Salt Effects on Caffeine across Concentration Regimes.
Hervø-Hansen S, Polák J, Tomandlová M, Dzubiella J, Heyda J, Lund M. Hervø-Hansen S, et al. Among authors: dzubiella j. J Phys Chem B. 2023 Dec 7;127(48):10253-10265. doi: 10.1021/acs.jpcb.3c01085. Epub 2023 Nov 21. J Phys Chem B. 2023. PMID: 38058160 Free PMC article.
Application of the level-set method to the implicit solvation of nonpolar molecules.
Cheng LT, Dzubiella J, McCammon JA, Li B. Cheng LT, et al. Among authors: dzubiella j. J Chem Phys. 2007 Aug 28;127(8):084503. doi: 10.1063/1.2757169. J Chem Phys. 2007. PMID: 17764265
A level-set method is developed for numerically capturing the equilibrium solute-solvent interface that is defined by the recently proposed variational implicit solvent model [Dzubiella, Swanson, and McCammon, Phys. Rev. Lett. 104, 527 (2006); J. ...
A level-set method is developed for numerically capturing the equilibrium solute-solvent interface that is defined by the recently proposed …
147 results