Measurement of the individual pKa values of acidic residues of hen and turkey lysozymes by two-dimensional 1H NMR.
about
Accurate, conformation-dependent predictions of solvent effects on protein ionization constantsThree-dimensional structure of a hyperthermophilic 5'-deoxy-5'-methylthioadenosine phosphorylase from Sulfolobus solfataricusEffect on catalysis by replacement of catalytic residue from hen egg white lysozyme to Venerupis philippinarum lysozymeEmpirical relationships between protein structure and carboxyl pKa values in proteins.Protein dielectric constants determined from NMR chemical shift perturbationsRemeasuring HEWL pK(a) values by NMR spectroscopy: methods, analysis, accuracy, and implications for theoretical pK(a) calculations.Incorporating protein conformational flexibility into the calculation of pH-dependent protein properties.Benchmarking pK(a) prediction.Modeling the electrophoresis of lysozyme. II. Inclusion of ion relaxationPolarizable atomic multipole x-ray refinement: hydration geometry and application to macromoleculesConformation and hydrogen ion titration of proteins: a continuum electrostatic model with conformational flexibility.A self-consistent, microenvironment modulated screened coulomb potential approximation to calculate pH-dependent electrostatic effects in proteinsCombining conformational flexibility and continuum electrostatics for calculating pK(a)s in proteins.What are the dielectric "constants" of proteins and how to validate electrostatic models?Constant pH molecular dynamics of proteins in explicit solvent with proton tautomerism.Long dynamics simulations of proteins using atomistic force fields and a continuum representation of solvent effects: calculation of structural and dynamic properties.Calculation of pK(a) in proteins with the microenvironment modulated-screened coulomb potentialConstant-pH Hybrid Nonequilibrium Molecular Dynamics-Monte Carlo Simulation Method.Large-scale modulation of thermodynamic protein folding barriers linked to electrostaticsA fast and accurate computational approach to protein ionization.Constant pH Replica Exchange Molecular Dynamics in Explicit Solvent Using Discrete Protonation States: Implementation, Testing, and Validation.The pH-induced release of iron from transferrin investigated with a continuum electrostatic model.Calculating pKa values in the cAMP-dependent protein kinase: the effect of conformational change and ligand binding.Efficient implementation of constant pH molecular dynamics on modern graphics processors.Coupling Constant pH Molecular Dynamics with Accelerated Molecular Dynamics.Population of nonnative states of lysozyme variants drives amyloid fibril formation.Highly perturbed pKa values in the unfolded state of hen egg white lysozyme.MCCE2: improving protein pKa calculations with extensive side chain rotamer sampling.Electrostatic interactions in the acid denaturation of alpha-lactalbumin determined by NMR.The role of hydrophobic microenvironments in modulating pKa shifts in proteins.Development of constant-pH simulation methods in implicit solvent and applications in biomolecular systems.Conformational stability of Helicobacter pylori flavodoxin: fit to function at pH 5.Potential of mean force of water-proton bath and molecular dynamic simulation of proteins at constant pH.The role of electrostatics in TrxR electron transfer mechanism: A computational approach.TSAR, a new graph-theoretical approach to computational modeling of protein side-chain flexibility: modeling of ionization properties of proteins.Monte Carlo simulations of proteins at constant pH with generalized Born solvent, flexible sidechains, and an effective dielectric boundary.Acidic range titration of HEWL using a constant-pH molecular dynamics method.Simulating proteins at constant pH: An approach combining molecular dynamics and Monte Carlo simulation.A fast and simple method to calculate protonation states in proteins.Improving the accuracy of protein pKa calculations: conformational averaging versus the average structure.
P2860
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P2860
Measurement of the individual pKa values of acidic residues of hen and turkey lysozymes by two-dimensional 1H NMR.
description
1994 nî lūn-bûn
@nan
1994 թուականի Ապրիլին հրատարակուած գիտական յօդուած
@hyw
1994 թվականի ապրիլին հրատարակված գիտական հոդված
@hy
1994年の論文
@ja
1994年論文
@yue
1994年論文
@zh-hant
1994年論文
@zh-hk
1994年論文
@zh-mo
1994年論文
@zh-tw
1994年论文
@wuu
name
Measurement of the individual ...... mes by two-dimensional 1H NMR.
@ast
Measurement of the individual ...... mes by two-dimensional 1H NMR.
@en
Measurement of the individual ...... mes by two-dimensional 1H NMR.
@nl
type
label
Measurement of the individual ...... mes by two-dimensional 1H NMR.
@ast
Measurement of the individual ...... mes by two-dimensional 1H NMR.
@en
Measurement of the individual ...... mes by two-dimensional 1H NMR.
@nl
prefLabel
Measurement of the individual ...... mes by two-dimensional 1H NMR.
@ast
Measurement of the individual ...... mes by two-dimensional 1H NMR.
@en
Measurement of the individual ...... mes by two-dimensional 1H NMR.
@nl
P2860
P1433
P1476
Measurement of the individual ...... mes by two-dimensional 1H NMR.
@en
P2093
P2860
P304
P356
10.1016/S0006-3495(94)80900-2
P407
P50
P577
1994-04-01T00:00:00Z