搜索结果: 1-11 共查到“理学 solvation”相关记录11条 . 查询时间(0.062 秒)
Solvation Response Along the Reaction Coordinate in the Active Site of Ketosteroid Isomerase
Pseudomonas putida Coumarins Isomerases Spectrometry, Fluorescence Catalytic Domain Ketosteroids Biocatalysis Light Models, Molecular Equilenin
2016/5/25
A light-activated reaction analog has been developed to mimic the catalytic reaction cycle of Delta(5)-3-ketosteroid isomerase to probe the functionally relevant protein solvation response to the cata...
Measurement of Solvation Responses at Multiple Sites in a Globular Protein
background electrolyte capillary electrophoresis humic acid
2016/5/24
Proteins respond to electrostatic perturbations through complex reorganizations of their charged and polar groups, as well as those of the surrounding media. These solvation responses occur both in th...
Iterative method for calculation of polar component of gibbs solvation energy under condition of smooth change of solution dielectric permeability
electrostatics solvation energy smoothed dielectric permeability
2011/8/3
Abstract: On basis of previous developed iterative method for calculation of polar component of Gibbs solvation energy, under condition of smooth change of dielectric permeability both between substra...
Specific features of the dielectric continuum solvation model with a position-dependent permittivity function
Position-dependent permittivity function implicit solvent models solvation free energy
2011/8/2
Abstract: We consider a modified formulation for the recently developed new approach in the continuum solvation theory (Basilevsky, M. V., Grigoriev, F. V., Nikitina, E. A., Leszczynski, J., J. Phys. ...
Solvation Effects in Phase Transitions in Soft Matter
Solvation Effects in Phase Transitions Soft Matter
2010/11/18
Phase transitions in polar binary mixtures can be drastically altered even by a small amount of salt. This is because the preferential solvation strongly depends on the ambient composition.
Electron Affinities, Solvation Energies and Redox Potentials of Some Chalcones: Substituents` Effect and Correlation with Semi-Empirical MO Energies
Electron Affinities Solvation Energies Redox Potentials of Some Chalcones
2010/4/19
Experimental and theoretical investigations were carried out on 2 sets of chalcones. Set 1 has an OH group on ring A and Set 2 does not, and both have different substituents on ring B at different pos...
Quality Meshing of Implicit Solvation Models of Biomolecular Structures
Quality mesh biomolecule implicit solvation models multi-scale model finite element simulations
2012/8/1
This paper describes a comprehensive approach to construct quality meshes for implicit solvation models of biomolecular structures starting from atomic resolution data in the Protein Data Bank (PDB). ...
Potentiometric Studies on the Protonation Constants and Solvation of Some a-Amino Acid Benzyl- and t-Butyl- Esters in Ethanol-Water Mixtures
Potentiometry protonation constants solvent effect amino acid esters
2010/4/20
To gain more information about the effect of solvent on a -amino acid benzyl- and t-butyl- esters, the stoichiometric protonation constants of 10 esters (glycine benzyl ester, L-alanine benzyl ester, ...
Group Contributions to the Solvation Free Energy from MST Continuum Calculations
the Solvation Free Energy MST Continuum Calculations
2010/10/18
Group contributions to the free energy of solvation in water and octanol as well as to the octanol/water partition coefficient have been determined from Miertus-Scrocco-Tomasi continuum calculations. ...
A Born-Oppenheimer approximation for path integrals with an application to electron solvation in polarizable fluids
A Born-Oppenheimer approximation path integrals an application to electron solvation polarizable fluids
2014/9/24
The Born-Oppenheimer approximation is introduced into the path integral expression for the canonical partition function. It is difficult to apply this to simulations. We devise a new adiabatic express...
Preparation and Solvation Properties of Some Variable Charge Montmorillonites
Preparation Solvation Properties Montmorillonites
2012/2/20
Li-, Na-, K- and Ca-saturated Wyoming montmorillonites have been prepared and used to obtain Li, Na-, Li, K-, and Li, Ca-montmorillonites with a range of Li contents. These were heated at 220°C for 24...