These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.
2. Differential geometry based solvation model II: Lagrangian formulation. Chen Z; Baker NA; Wei GW J Math Biol; 2011 Dec; 63(6):1139-200. PubMed ID: 21279359 [TBL] [Abstract][Full Text] [Related]
3. Quantum dynamics in continuum for proton transport II: Variational solvent-solute interface. Chen D; Chen Z; Wei GW Int J Numer Method Biomed Eng; 2012 Jan; 28(1):25-51. PubMed ID: 22328970 [TBL] [Abstract][Full Text] [Related]
4. Parameter optimization in differential geometry based solvation models. Wang B; Wei GW J Chem Phys; 2015 Oct; 143(13):134119. PubMed ID: 26450304 [TBL] [Abstract][Full Text] [Related]
5. Application of the level-set method to the implicit solvation of nonpolar molecules. Cheng LT; Dzubiella J; McCammon JA; Li B J Chem Phys; 2007 Aug; 127(8):084503. PubMed ID: 17764265 [TBL] [Abstract][Full Text] [Related]
6. Comparison Study of Polar and Nonpolar Contributions to Solvation Free Energy. Izairi R; Kamberaj H J Chem Inf Model; 2017 Oct; 57(10):2539-2553. PubMed ID: 28880080 [TBL] [Abstract][Full Text] [Related]
8. Variational Implicit Solvation with Solute Molecular Mechanics: From Diffuse-Interface to Sharp-Interface Models. Li B; Zhao Y SIAM J Appl Math; 2013; 73(1):1-23. PubMed ID: 24058213 [TBL] [Abstract][Full Text] [Related]
9. Parameterization of a geometric flow implicit solvation model. Thomas DG; Chun J; Chen Z; Wei G; Baker NA J Comput Chem; 2013 Mar; 34(8):687-95. PubMed ID: 23212974 [TBL] [Abstract][Full Text] [Related]
10. 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 J Chem Theory Comput; 2009 Feb; 5(2):257-266. PubMed ID: 20150952 [TBL] [Abstract][Full Text] [Related]
11. On the nonpolar hydration free energy of proteins: surface area and continuum solvent models for the solute-solvent interaction energy. Levy RM; Zhang LY; Gallicchio E; Felts AK J Am Chem Soc; 2003 Aug; 125(31):9523-30. PubMed ID: 12889983 [TBL] [Abstract][Full Text] [Related]
19. DFT-based linear solvation energy relationships for the infrared spectral shifts of acetone in polar and nonpolar organic solvents. Chang CM J Phys Chem A; 2008 Mar; 112(11):2482-8. PubMed ID: 18284222 [TBL] [Abstract][Full Text] [Related]
20. Coupling Monte Carlo, Variational Implicit Solvation, and Binary Level-Set for Simulations of Biomolecular Binding. Zhang Z; Ricci CG; Fan C; Cheng LT; Li B; McCammon JA J Chem Theory Comput; 2021 Apr; 17(4):2465-2478. PubMed ID: 33650860 [TBL] [Abstract][Full Text] [Related] [Next] [New Search]