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Items: 1 to 20 of 89

1.

Numerical Poisson-Boltzmann Model for Continuum Membrane Systems.

Botello-Smith WM, Liu X, Cai Q, Li Z, Zhao H, Luo R.

Chem Phys Lett. 2013 Jan 3;555:274-281. Epub 2012 Nov 7.

2.

Applications of MMPBSA to Membrane Proteins I: Efficient Numerical Solutions of Periodic Poisson-Boltzmann Equation.

Botello-Smith WM, Luo R.

J Chem Inf Model. 2015 Oct 26;55(10):2187-99. doi: 10.1021/acs.jcim.5b00341. Epub 2015 Oct 5.

3.
4.

Optimized Radii for Poisson-Boltzmann Calculations with the AMBER Force Field.

Swanson JM, Adcock SA, McCammon JA.

J Chem Theory Comput. 2005 May;1(3):484-93. doi: 10.1021/ct049834o.

PMID:
26641515
5.

On removal of charge singularity in Poisson-Boltzmann equation.

Cai Q, Wang J, Zhao HK, Luo R.

J Chem Phys. 2009 Apr 14;130(14):145101. doi: 10.1063/1.3099708.

PMID:
19368474
6.

Continuum polarizable force field within the Poisson-Boltzmann framework.

Tan YH, Tan C, Wang J, Luo R.

J Phys Chem B. 2008 Jun 26;112(25):7675-88. doi: 10.1021/jp7110988. Epub 2008 May 29.

7.

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. doi: 10.1021/ct800445x. Epub 2009 Mar 24.

PMID:
26609601
8.

Assessment of linear finite-difference Poisson-Boltzmann solvers.

Wang J, Luo R.

J Comput Chem. 2010 Jun;31(8):1689-98. doi: 10.1002/jcc.21456.

9.

Electrostatic forces in the Poisson-Boltzmann systems.

Xiao L, Cai Q, Ye X, Wang J, Luo R.

J Chem Phys. 2013 Sep 7;139(9):094106. doi: 10.1063/1.4819471.

10.

Differential geometry based solvation model II: Lagrangian formulation.

Chen Z, Baker NA, Wei GW.

J Math Biol. 2011 Dec;63(6):1139-200. doi: 10.1007/s00285-011-0402-z. Epub 2011 Jan 30.

11.

AQUASOL: An efficient solver for the dipolar Poisson-Boltzmann-Langevin equation.

Koehl P, Delarue M.

J Chem Phys. 2010 Feb 14;132(6):064101. doi: 10.1063/1.3298862.

12.

Dielectric pressure in continuum electrostatic solvation of biomolecules.

Cai Q, Ye X, Luo R.

Phys Chem Chem Phys. 2012 Dec 5;14(45):15917-25. doi: 10.1039/c2cp43237d. Epub 2012 Oct 23.

13.

Polarizable atomic multipole solutes in a Poisson-Boltzmann continuum.

Schnieders MJ, Baker NA, Ren P, Ponder JW.

J Chem Phys. 2007 Mar 28;126(12):124114. Review.

14.

Postprocessing of docked protein-ligand complexes using implicit solvation models.

Lindström A, Edvinsson L, Johansson A, Andersson CD, Andersson IE, Raubacher F, Linusson A.

J Chem Inf Model. 2011 Feb 28;51(2):267-82. doi: 10.1021/ci100354x. Epub 2011 Feb 10.

PMID:
21309544
15.

Variational Implicit Solvation with Poisson-Boltzmann Theory.

Zhou S, Cheng LT, Dzubiella J, Li B, McCammon JA.

J Chem Theory Comput. 2014 Apr 8;10(4):1454-1467. Epub 2014 Feb 21.

16.

Numerical interpretation of molecular surface field in dielectric modeling of solvation.

Wang C, Xiao L, Luo R.

J Comput Chem. 2017 May 30;38(14):1057-1070. doi: 10.1002/jcc.24782. Epub 2017 Mar 20.

PMID:
28318096
17.

Progress in developing Poisson-Boltzmann equation solvers.

Li C, Li L, Petukh M, Alexov E.

Mol Based Math Biol. 2013 Mar 1;1. doi: 10.2478/mlbmb-2013-0002.

18.

Protein-ion binding process on finite macromolecular concentration. A Poisson-Boltzmann and Monte Carlo study.

de Carvalho SJ, Fenley MO, da Silva FL.

J Phys Chem B. 2008 Dec 25;112(51):16766-76. doi: 10.1021/jp800783x.

PMID:
19368030
19.

GroPBS: Fast Solver for Implicit Electrostatics of Biomolecules.

Bertelshofer F, Sun L, Greiner G, Böckmann RA.

Front Bioeng Biotechnol. 2015 Nov 17;3:186. doi: 10.3389/fbioe.2015.00186. eCollection 2015.

20.

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