Keywords: الکترواستاتیک متقاطع; Implicit solvent models; Poisson–Boltzmann equation; Generalized Born model; Continuum electrostatics; Molecular dynamics
مقالات ISI الکترواستاتیک متقاطع (ترجمه نشده)
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Keywords: الکترواستاتیک متقاطع; Aqueous two-phase partitioning; Amino acids; Collander equation; Semi-empirical model; Continuum Electrostatics;
Electrostatic free energies in translational GTPases: Classic allostery and the rest
Keywords: الکترواستاتیک متقاطع; ATP/GTP; adenosine/guanosine triphospate; aIF2/aIF5B; archaeal Initiation Factor 2/5B; IS/OS; Inner/Outer Sphere; MD; molecular dynamics; MDFE; molecular dynamics free energy; PBFE; Poisson-Boltzmann free energy; Molecular recognition; induced fit; mole
On energy formulations of electrostatics for continuum media
Keywords: الکترواستاتیک متقاطع; Continuum Electrostatics; Energy formulation; Nonlinear dielectric composites
Simulation of multihaem cytochromes
Keywords: الکترواستاتیک متقاطع; Electron transfer; Proton transfer; Electron-proton coupling; Redox-Bohr effect; Continuum electrostatics; Monte Carlo; Molecular dynamics simulations;
Experimentally assessing molecular dynamics sampling of the protein native state conformational distribution
Keywords: الکترواستاتیک متقاطع; BPTI; bovine pancreatic trypsin inhibitor; PDB; protein data bank; RDC; residual dipolar coupling; NOE; nuclear Overhauser enhancement; MD; molecular dynamics; PB; Poisson-Boltzmann; Protein ensemble; Hydrogen exchange; Continuum electrostatics; Protein
The identity of the transient proton loading site of the proton-pumping mechanism of cytochrome c oxidase
Keywords: الکترواستاتیک متقاطع; CcO, Cytochrome c Oxidase; BNC, Binuclear Center; Glu, Glutamic Acid; Asp, Aspartic Acid; MD, Molecular Dynamics; PLS, Proton-loading SiteProton pump; Heme-copper oxidase; MD simulation; Proton-coupled electron transfer; Continuum electrostatics
Sidechain conformational dependence of hydrogen exchange in model peptides
Keywords: الکترواستاتیک متقاطع; Protein sidechain; Hydrogen exchange; Amide acidity; Peptide conformation; Continuum electrostatics; Dielectric shielding;
Assessing the native state conformational distribution of ubiquitin by peptide acidity
Keywords: الکترواستاتیک متقاطع; Protein ensemble; Hydrogen exchange; Continuum electrostatics; Protein flexibility; Conformational selection;
Backbone conformational dependence of peptide acidity
Keywords: الکترواستاتیک متقاطع; NMR; Hydrogen exchange; Amide acidity; Peptide conformation; Continuum electrostatics; Dielectric shielding;
Electrostatic control of proton pumping in cytochrome c oxidase
Keywords: الکترواستاتیک متقاطع; CcO, cytochrome c oxidase; BNC, binuclear center; PLS, proton loading siteCytochrome c oxidase; Vectorial proton transport; Redox-coupled proton transport; Proton-pumping mechanism; Binuclear center; Continuum electrostatics
Electrostatic Effects in a Network of Polar and Ionizable Groups in Staphylococcal Nuclease
Keywords: الکترواستاتیک متقاطع; MD, molecular dynamics; SNase; NVIAGA, hyperstable form of SNase; GdmCl, guanidinium chloridepKa values; histidine; NMR spectroscopy; continuum electrostatics; networks
Electrophoretic mobility equation for protein with molecular shape and charge multipole effects
Keywords: الکترواستاتیک متقاطع; Capillary electrophoresis; Continuum electrostatics; Lysozyme; Poisson–Boltzmann equation; Protein charge; Protein diffusivity
Effect of the aqueous-organic solvent structure on the cobalticenium-cobaltocene redox potential: The redox couple as a basis for determination of the single ion transfer energies
Keywords: الکترواستاتیک متقاطع; Ion transfer energy; Continuum electrostatics; Dielectric response; Effect of liquid structure; Pre-existing field;
Continuum electrostatics of proteins: Experimental test with model solvents and the method of the proteins pK calculations
Keywords: الکترواستاتیک متقاطع; Ion solvation; Ion transfer energy; Continuum electrostatics; Pre-existing field; Dielectric response; Optical dielectric permittivity; Static dielectric permittivity; Protein's dielectric constant; pK in solvents; pK in proteins;
Thermodynamic and electrostatic properties of ternary Oxytricha nova TEBP-DNA complex
Keywords: الکترواستاتیک متقاطع; Protein-DNA complex; Telomere end binding protein; Continuum electrostatics; Molecular electrostatic potential; Complex formation pathway; Telomere; Oxytricha nova; Free energy calculations;