ライフサイエンスコーパス: point charge

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

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

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

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

5 Point charge distributions for the force field parametri

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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