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Electrostatic potential

Molecular basis of calcium-sensitizing and desensitizing mutations of the human cardiac troponin C regulatory domain: a multi-scale simulation study.

Molecular basis of calcium-sensitizing and desensitizing mutations of the human cardiac troponin C regulatory domain: a multi-scale simulation study.

... chosen, respectively. These cutoffs resulted in 3 (holo E40A, holo L48Q, apo V44Q), 4 (holo V44Q, apo E40A, apo L48Q, apo V79Q) and 2 (holo V79Q) clusters that represented at least 90% of the respective trajectories. ...

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Braz. J. Phys.  vol.28 número3

Braz. J. Phys. vol.28 número3

... existing electrostatic potential with the free populations assumed to be monoenergetic beams and the re ected ones obeying the Maxwell-Boltzmann ...the electrostatic potential for some set of ...

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J. Braz. Chem. Soc.  vol.13 número1

J. Braz. Chem. Soc. vol.13 número1

... A new procedure, named AGOA, has been developed and implemented in a computer program written in FORTRAN 77 to explore the hydration structures of polar solutes using its molecular electrostatic potential ...

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J. Braz. Chem. Soc.  vol.27 número3

J. Braz. Chem. Soc. vol.27 número3

... that interaction with the catalytic residue TYR222 from chain B may be enabled when chains get closer and both the DNA-topIB interaction and accessibility of TYR222 for the catalytic attack are prevented. The second ...

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J. Braz. Chem. Soc.  vol.26 número4

J. Braz. Chem. Soc. vol.26 número4

... systematic approach to obtain the most probable protonation site in natural products. First, the atomic charges and molecular electrostatic potential maps should be analyzed. Second, the proton affinities ...

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Braz. J. Phys.  vol.36 número4A

Braz. J. Phys. vol.36 número4A

... the electrostatic potential, decreasing the amplitude of potential fluctuations and, consequently, increas- ing the energy of the emission ...

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Electrostatic force microscopy as a tool to estimate the number of active potential barriers in dense non-Ohmic polycrystalline SnO2 devices

Electrostatic force microscopy as a tool to estimate the number of active potential barriers in dense non-Ohmic polycrystalline SnO2 devices

... the electrostatic potential barrier was found to be back-to-back Schottky ...the potential barrier, 6,7 promoting an increase in non-Ohmic ...

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On the three-dimensional configuration of electrostatic solitary waves

On the three-dimensional configuration of electrostatic solitary waves

... the electrostatic potential utilized in the paper (Chen and Parks, 2002) coincides with the radial dependence typ- ical of a bounded plasma (Schamel, 1979) on a purely for- mal basis, and the model ...

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Estudo da dinâmica de solvatação de peptídeos por QM/MM

Estudo da dinâmica de solvatação de peptídeos por QM/MM

... Study on the conformational equilibrium of the alanine dipeptide in water solution by using the averaged solvent electrostatic potential from molecular dynamics methodology. Theoretica[r] ...

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Ion acceleration from laser-driven electrostatic shocks

Ion acceleration from laser-driven electrostatic shocks

... shockwaves. Electrostatic shocks are typically associated with the excita- tion of ion acoustic waves (IAW) in plasmas with cold ions and high electron ...the electrostatic potential energy ...

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WIND observations of coherent electrostatic waves in the solar wind

WIND observations of coherent electrostatic waves in the solar wind

... Therefore, the isolated electrostatic structures are actually weak double layers (WDL) with small relative amplitudes. They consist (see Fig. 6d) of two main layers of approximatively opposite charge, the ...

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Design and Simulation of a Three-Phase Electrostatic Cylindrical Rotary Micromotor

Design and Simulation of a Three-Phase Electrostatic Cylindrical Rotary Micromotor

... three-phase electrostatic rotary micromotor was ...an electrostatic micromotor using cylindrical capacitor produces a larger value of the angular velocity compared to parallel plate ...

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Copper removal from industrial wastewaters by means of electrostatic shielding

Copper removal from industrial wastewaters by means of electrostatic shielding

... Electrostatic shielding zones made of electrode graphite powder were used as a new type of ionic and electronic current sinks. Because of the local elimination of the applied electric ield, voltage and current ...

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Thermoplastic polyurethane and multi-walled carbon nanotubes nanocomposites for electrostatic dissipation.

Thermoplastic polyurethane and multi-walled carbon nanotubes nanocomposites for electrostatic dissipation.

... THERMOPLASTIC POLYURETHANE AND MULTI-WALLED CARBON NANOTUBES NANOCOMPOSITES FOR ELECTROSTATIC DISSIPATION. Polyurethane/multi-walled carbon nanotube (MWCNT) nanocomposites have been prepared with nanotube ...

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Electrostatic charging of dielectrics: new approaches to solve persisting problems.

Electrostatic charging of dielectrics: new approaches to solve persisting problems.

... PROBLEMS. Electrostatic phenomena were discovered long ago but their interpretation according to well-established atomic-molecular theory is still ...result, electrostatic phenomena are often irreproducible ...

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 Investigation of Solar Cells Power Degradation Due to Electrostatic Discharge

Investigation of Solar Cells Power Degradation Due to Electrostatic Discharge

... Arc sites, arc voltage threshold, arcing frequency, and arcing current duration depend on plasma parameters, solar cell circuit, and type of solar cell in use. For example, there are two well-known configurations: Cho’s ...

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Ionospheric conductivity effects on electrostatic field penetration into the ionosphere

Ionospheric conductivity effects on electrostatic field penetration into the ionosphere

... In the frame of ionospheric precursors, it is important to know what kind of effect could be observable to maintain proper satellite missions. In this connection it is essential to understand how electrostatic ...

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On surface tension of a bubble under presence of electrostatic force

On surface tension of a bubble under presence of electrostatic force

... This short note reveals that the surface tension of a bubble reduces significantly by ad- justing electrostatic field, when it reaches a threshold value, the surface tension vanishes com- pletely. This phenomenon ...

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Assessment of occupational exposure to azole resistant fungi in 10 Portuguese bakeries

Assessment of occupational exposure to azole resistant fungi in 10 Portuguese bakeries

... In the assessment of EDC fungal contamination, different results were obtained using different culture media regarding both fungal load and mycobiota diversity. As an example, the isolates from Chrysonilia sitophila were ...

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Production and characterization of alginate microparticles obtained by ionic gelation and electrostatic adsorption of concentrated soy protein

Production and characterization of alginate microparticles obtained by ionic gelation and electrostatic adsorption of concentrated soy protein

... Protein adsorption caused an increase in the mean microparticle size; however, without significant differences compared with microparticles without protein adsorption. Alginate microparticles and microparticles with ...

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