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LS-VISM: A software package for analysis of biomolecular solvation.
Zhou S, Cheng LT, Sun H, Che J, Dzubiella J, Li B, McCammon JA. Zhou S, et al. Among authors: dzubiella j. J Comput Chem. 2015 May 30;36(14):1047-59. doi: 10.1002/jcc.23890. Epub 2015 Mar 12. J Comput Chem. 2015. PMID: 25766844 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 …
Electrostatic free energy and its variations in implicit solvent models.
Che J, Dzubiella J, Li B, McCammon JA. Che J, et al. Among authors: dzubiella j. J Phys Chem B. 2008 Mar 13;112(10):3058-69. doi: 10.1021/jp7101012. Epub 2008 Feb 15. J Phys Chem B. 2008. PMID: 18275182
This approach is then applied to the variational implicit solvent description of the solvation of molecules [Dzubiella, Swanson, McCammon, Phys. Rev. Lett. 2006, 96, 087802; J. ...
This approach is then applied to the variational implicit solvent description of the solvation of molecules [Dzubiella, Swanson, McCa …
Dewetting-controlled binding of ligands to hydrophobic pockets.
Setny P, Wang Z, Cheng LT, Li B, McCammon JA, Dzubiella J. Setny P, et al. Among authors: dzubiella j. Phys Rev Lett. 2009 Oct 30;103(18):187801. doi: 10.1103/PhysRevLett.103.187801. Epub 2009 Oct 30. Phys Rev Lett. 2009. PMID: 19905832 Free PMC article.
Coupling the Level-Set Method with Molecular Mechanics for Variational Implicit Solvation of Nonpolar Molecules.
Cheng LT, Xie Y, Dzubiella J, McCammon JA, Che J, Li B. Cheng LT, et al. Among authors: dzubiella j. J Chem Theory Comput. 2009 Feb 10;5(2):257-266. doi: 10.1021/ct800297d. J Chem Theory Comput. 2009. PMID: 20150952 Free PMC article.
Our approach extends the original variational implicit-solvent model of Dzubiella, Swanson, and McCammon [Phys. Rev. Lett. 2006, 96, 087802 and J. ...
Our approach extends the original variational implicit-solvent model of Dzubiella, Swanson, and McCammon [Phys. Rev. Lett. 2006, 96, …
147 results