ライフサイエンスコーパス: Poisson-Boltzmann equation

1 local potential and extend the limits of the Poisson-Boltzmann equation.

2 tant derived from solutions to the nonlinear Poisson-Boltzmann equation.

3 of these four NH(3)/NH(4)(+) by solving the Poisson-Boltzmann equation.

4 structures using numerical solutions to the Poisson-Boltzmann equation.

5 y numerical evaluation using the generalized Poisson-Boltzmann equation.

6 s calculated from numerical solutions to the Poisson-Boltzmann equation.

7 ased upon finite difference solutions of the Poisson-Boltzmann equation.

8 ved form of the ribozyme using the nonlinear Poisson-Boltzmann equation.

9 site are computed by solving the linearized Poisson-Boltzmann equation.

10 sed on the finite difference solution to the Poisson-Boltzmann equation.

11 obtained from solving the finite-difference Poisson-Boltzmann equation.

12 finite difference method to solve the linear Poisson-Boltzmann equation.

13 model dependent solutions of the linearized Poisson-Boltzmann equation.

14 of ions about the polyion via the nonlinear Poisson-Boltzmann equation.

15 explained by mean-field models based on the Poisson-Boltzmann equation.

16 ct numerical calculations based on nonlinear Poisson-Boltzmann equations.

17 the solvent and mobile ions (by solving the Poisson-Boltzmann equation and accounting for finite ion

18 s: an implicit solvent approach based on the Poisson-Boltzmann equation and an explicit solvent appro

19 Bw4/Bw6 epitope was computed by solving the Poisson-Boltzmann equation and quantitatively compared i

20 ostatic interaction by solving the nonlinear Poisson-Boltzmann equation, and predict the molar partit

21 based on finite difference solutions to the Poisson-Boltzmann equation applied to atomic models of h

22 al structures of biomolecules by solving the Poisson-Boltzmann equation are widely used in molecular

23 retical electrostatic calculations using the Poisson-Boltzmann equation as a model for a solute molec

24 the RNA and are accurately described by the Poisson-Boltzmann equation as an ensemble distributed ac

25 on, exact and linearized forms of the planar Poisson-Boltzmann equation, as well as the construction

26 ptotic solution of the cylindrical nonlinear Poisson-Boltzmann equation at low to moderate concentrat

27 Our results indicate that the Poisson-Boltzmann equation captures much of the physical

28 tionally based on numerical solutions of the Poisson-Boltzmann equation carried out using a high-reso

29 tatic properties obtained by solution of the Poisson-Boltzmann equation combined with a surface area-

30 ifts are reproduced by a model, based on the Poisson-Boltzmann equation coupled with charge-regulatin

31 The analytic solution to the nonlinear Poisson-Boltzmann equation describing the ion distributi

32 finite difference solution to the linearized Poisson-Boltzmann equation (FDPB) and solvation entropy

33 calculated from a nonlinear solution of the Poisson-Boltzmann equation for channels with a parallel-

34 nable the trivially parallel solution of the Poisson-Boltzmann equation for supramolecular structures

35 A solution of the linearized Poisson-Boltzmann equation, for this system, allows one

36 Theoretical calculations using a nonlinear Poisson-Boltzmann equation give excellent agreement with

37 pK(a) calculations based on the Poisson-Boltzmann equation have been widely used to stud

38 elucidate the electrostatic potential is the Poisson-Boltzmann equation; however, existing methods fo

39 Valences calculated using the Poisson-Boltzmann equation indicate that negative charge

40 potential has also been quantified using the Poisson-Boltzmann equation, leading to faithful estimate

41 A calculation using Poisson-Boltzmann equation module supports that Asp40 in

42 Our approach centers on use of the Poisson-Boltzmann equation of classical electrostatics,

43 Because the linear Poisson-Boltzmann equation (PBE) and the more approximat

44 ctions of two simplified models based on the Poisson-Boltzmann equation (PBM) and the Smoluchowski's

45 ons using finite difference solutions of the Poisson-Boltzmann equation provide a value of the pKa di

46 Using a non-linear Poisson-Boltzmann equation, quantitative computations of

47 finite difference solution to the linearized Poisson-Boltzmann equation reproduce the observed energe

48 Calculations using the linearized Poisson-Boltzmann equation show that the effective pKa o

49 Theory based on the Poisson-Boltzmann equation shows that the rate of spin r

50 oach is applied to discretize the linearized Poisson-Boltzmann equation; the resulting integral formu

51 As predicted from application of the Poisson-Boltzmann equation to atomic models of the pepti

52 cal electrostatics, we applied the nonlinear Poisson-Boltzmann equation to atomic models of the phosp

53 on (RPA), in combination with the linearized Poisson-Boltzmann equation to describe solvation effects

54 used them in calculations with the nonlinear Poisson-Boltzmann equation to estimate the change in Mg2

55 oupled the RPA framework with the linearized Poisson-Boltzmann equation to model solvation effects an

56 his potential of mean force in a generalized Poisson-Boltzmann equation to predict the full ion distr

57 d all terms obtained from application of the Poisson-Boltzmann equation to the TAT liposome SHG data,

58 dence on salt concentration.) The non-linear Poisson-Boltzmann equation was used to calculate the sam

59 inite difference solutions of the linearized Poisson-Boltzmann equation, we then calculated the pH-de

60 ics calculations, solutions to the nonlinear Poisson-Boltzmann equation were used to compute the pote

61 silon(p) of 6-20 used in models based on the Poisson-Boltzmann equation when calculating thermodynami

62 based on a finite-difference solution to the Poisson-Boltzmann equation, which considers desolvation

63 sults of calculations based on the nonlinear Poisson-Boltzmann equation, which describes the interact

64 density is calculated using the cylindrical Poisson-Boltzmann equation with a distance-dependent qua

65 tribution, which was obtained by solving the Poisson-Boltzmann equation, with a surface-area-dependen

66 SHG together with the Poisson-Boltzmann equation yielded the dependence of the