ライフサイエンスコーパス: point charge

1 cases, the cation is essentially acting as a point charge.

2 ar surface is calculated based on the atomic point charges.

3 ence-enhanced major groove binding (SEGB) of point-charged alkali ions as the major difference betwee

4 A Nakanishi point-charge analysis of the electrostatic effects of no

5 chemistry methods were used to assign atomic point charges, and molecular simulations were used to as

6 les with proton positions optimized inside a point charge array are used to estimate the contribution

7 ecular dynamics of a complete interface with point-charge atoms to correlated electronic structure me

8 ng mechanisms by viewing them as interacting point charges, but nevertheless experimental binding str

9 o/nanofluidic systems often consider ions as point charges consistent with the mean-field theories.

10 Point charge distributions for the force field parametri

11 k aqueous KCl concentration, which indicated point-charge effects on the channel properties.

12 A free energy function with point charge electrostatics and an area based solvation

13 simple van der Waals interactions and atomic point-charge electrostatics account for the most importa

14 This extrapolated point charge (EPC) method assigns effective point charge

15 ar dynamics simulations employing the simple point charge-extended water model at room temperature sh

16 When modeled with a point charge for the proton acceptor, attractive electro

17 be largely resolved by identifying effective point charges for the macroions using cell theory.

18 ency indicated that the repositioning of the point charge in the Glu232Asp mutant might affect the or

19 point charge (EPC) method assigns effective point charges in a consistent way, taking into account t

20 a standard depletion attraction whereas the point charges interact through a screened Coulomb repuls

21 ydrophobic spherical colloid particles and a point charge located on each particle surface.

22 in which the dipole moment is represented by point charges located at either terminus.

23 muC/cm(2) along the c-axis was obtained from point charge model calculations.

24 O(2) at 300 K by combining a flexible simple point charge model for water and an accurate flexible fo

25 and a mathematical analysis of a simplistic point-charge model.

26 duced and rationalized by a simple classical point-charge model.

27 kcal/mol, whereas differences between simple point charge models and more elaborate multipolar charge

28 By employing a toy model based on point charges on a surface, and comparing it to experime

29 cally-precise one-dimensional (1D) arrays of point charges on graphene that allow exploration of a ne

30 static forces originating from clustering of point charges on the NTD surface required for function.

31 m of emergent excitations that manifest like point charges, or magnetic monopoles.

32 A point-charge physical model is proposed to explain the p

33 turn, augments the flow velocity relative to point-charge predictions.

34 Here, a point charge probe method was used to investigate the di

35 ta-sandwich proteins favor placing an inward-pointing charged side chain on one of the edge strands w

36 ility, confirming the hypothesis that inward-pointing charged side chains on edge beta-strands are an

37 ifferent water models [i.e., extended simple point charge (SPC/E) vs. four-site transferrable intermo

38 e accompanying paper makes use of the inward-pointing charge strategy with great success, turning hig

39 trostatic surface represented by hundreds of point charges; the linker DNAs are treated using a discr

40 complicating access to the low-energy (Dirac point) charge transport or magnetic response.

41 us solutions described by standard classical point charge water models.

42 line bilayer membrane and solvated by simple point charge water molecules inside the pore and at both

43 rane using explicit ions and extended simple point charge water.

44 polyacrylamide gel grafted with concentrated point charges (zwitterionic macromolecules), in contrast