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196 related items for PubMed ID: 25220475
1. A new set of atomic radii for accurate estimation of solvation free energy by Poisson-Boltzmann solvent model. Yamagishi J, Okimoto N, Morimoto G, Taiji M. J Comput Chem; 2014 Nov 05; 35(29):2132-9. PubMed ID: 25220475 [Abstract] [Full Text] [Related]
2. Optimized Radii for Poisson-Boltzmann Calculations with the AMBER Force Field. Swanson JM, Adcock SA, McCammon JA. J Chem Theory Comput; 2005 May 05; 1(3):484-93. PubMed ID: 26641515 [Abstract] [Full Text] [Related]
3. Combining the polarizable Drude force field with a continuum electrostatic Poisson-Boltzmann implicit solvation model. Aleksandrov A, Lin FY, Roux B, MacKerell AD. J Comput Chem; 2018 Aug 15; 39(22):1707-1719. PubMed ID: 29737546 [Abstract] [Full Text] [Related]
4. Optimized parameters for continuum solvation calculations with carbohydrates. Green DF. J Phys Chem B; 2008 Apr 24; 112(16):5238-49. PubMed ID: 18386862 [Abstract] [Full Text] [Related]
6. Quantitative analysis of Poisson-Boltzmann implicit solvent in molecular dynamics. Wang J, Tan C, Chanco E, Luo R. Phys Chem Chem Phys; 2010 Feb 07; 12(5):1194-202. PubMed ID: 20094685 [Abstract] [Full Text] [Related]
7. A self-consistent phase-field approach to implicit solvation of charged molecules with Poisson-Boltzmann electrostatics. Sun H, Wen J, Zhao Y, Li B, McCammon JA. J Chem Phys; 2015 Dec 28; 143(24):243110. PubMed ID: 26723595 [Abstract] [Full Text] [Related]
11. Computations of Absolute Solvation Free Energies of Small Molecules Using Explicit and Implicit Solvent Model. Shivakumar D, Deng Y, Roux B. J Chem Theory Comput; 2009 Apr 14; 5(4):919-30. PubMed ID: 26609601 [Abstract] [Full Text] [Related]
13. Accuracy comparison of several common implicit solvent models and their implementations in the context of protein-ligand binding. Katkova EV, Onufriev AV, Aguilar B, Sulimov VB. J Mol Graph Model; 2017 Mar 14; 72():70-80. PubMed ID: 28064081 [Abstract] [Full Text] [Related]
19. Parameterization of the Hamiltonian Dielectric Solvent (HADES) Reaction-Field Method for the Solvation Free Energies of Amino Acid Side-Chain Analogs. Zachmann M, Mathias G, Antes I. Chemphyschem; 2015 Jun 08; 16(8):1739-49. PubMed ID: 25820235 [Abstract] [Full Text] [Related]
20. Differential geometry based solvation model II: Lagrangian formulation. Chen Z, Baker NA, Wei GW. J Math Biol; 2011 Dec 08; 63(6):1139-200. PubMed ID: 21279359 [Abstract] [Full Text] [Related] Page: [Next] [New Search]