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

1 y numerical evaluation using the generalized 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 s calculated from numerical solutions to the Poisson-Boltzmann equation.

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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