Molecular determinants of the pKa values of Asp and Glu residues in staphylococcal nuclease
about
Biomolecular electrostatics and solvation: a computational perspectiveThe pKa Values of Acidic and Basic Residues Buried at the Same Internal Location in a Protein Are Governed by Different FactorsArginine residues at internal positions in a protein are always chargedStructural insight into the role of Streptococcus parasanguinis Fap1 within oral biofilm formationStructural and thermodynamic consequences of burial of an artificial ion pair in the hydrophobic interior of a proteinEnergetically significant networks of coupled interactions within an unfolded proteinConformational coupling between receptor and kinase binding sites through a conserved salt bridge in a signaling complex scaffold proteinComputational protein design: the Proteus software and selected applications.Structural, energetic, and dynamic responses of the native state ensemble of staphylococcal nuclease to cavity-creating mutations.Bayesian model aggregation for ensemble-based estimates of protein pKa values.Protein dielectric constants determined from NMR chemical shift perturbationsMimicking titration experiments with MD simulations: A protocol for the investigation of pH-dependent effects on proteinsRemeasuring HEWL pK(a) values by NMR spectroscopy: methods, analysis, accuracy, and implications for theoretical pK(a) calculations.On the Dielectric "Constant" of Proteins: Smooth Dielectric Function for Macromolecular Modeling and Its Implementation in DelPhiComparing aminoglycoside binding sites in bacterial ribosomal RNA and aminoglycoside modifying enzymes.High-pressure SAXS study of folded and unfolded ensembles of proteinsStructural plasticity of staphylococcal nuclease probed by perturbation with pressure and pH.Structural origins of high apparent dielectric constants experienced by ionizable groups in the hydrophobic core of a proteinCharges in the hydrophobic interior of proteins.Large shifts in pKa values of lysine residues buried inside a protein.Protein-protein docking with dynamic residue protonation statesPredicting extreme pKa shifts in staphylococcal nuclease mutants with constant pH molecular dynamicsDeveloping hybrid approaches to predict pKa values of ionizable groupsProgress in the prediction of pKa values in proteinsCalculation of pK(a) in proteins with the microenvironment modulated-screened coulomb potentialThermodynamic coupling of protonation and conformational equilibria in proteins: theory and simulation.Conformational consequences of ionization of Lys, Asp, and Glu buried at position 66 in staphylococcal nucleaseStructural reorganization triggered by charging of Lys residues in the hydrophobic interior of a protein.H++ 3.0: automating pK prediction and the preparation of biomolecular structures for atomistic molecular modeling and simulationsRapid calculation of protein pKa values using Rosetta.Asymmetric protonation of EmrE.Functional tuning of the catalytic residue pKa in a de novo designed esterase.Computational investigation of the pH dependence of loop flexibility and catalytic function in glycoside hydrolases.X-ray-induced catalytic active-site reduction of a multicopper oxidase: structural insights into the proton-relay mechanism and O2-reduction states.Computational simulation strategies for analysis of multisubunit RNA polymerases.NMR-monitored titration of acid-stress bacterial chaperone HdeA reveals that Asp and Glu charge neutralization produces a loosened dimer structure in preparation for protein unfolding and chaperone activation.The pKa Cooperative: a collaborative effort to advance structure-based calculations of pKa values and electrostatic effects in proteins.All-Atom Continuous Constant pH Molecular Dynamics With Particle Mesh Ewald and Titratable Water.Measuring the successes and deficiencies of constant pH molecular dynamics: a blind prediction study.Estimating the pKa values of basic and acidic side chains in ion channels using electrophysiological recordings: a robust approach to an elusive problem.
P2860
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P2860
Molecular determinants of the pKa values of Asp and Glu residues in staphylococcal nuclease
description
2009 nî lūn-bûn
@nan
2009 թուականի Նոյեմբերին հրատարակուած գիտական յօդուած
@hyw
2009 թվականի նոյեմբերին հրատարակված գիտական հոդված
@hy
2009年の論文
@ja
2009年論文
@yue
2009年論文
@zh-hant
2009年論文
@zh-hk
2009年論文
@zh-mo
2009年論文
@zh-tw
2009年论文
@wuu
name
Molecular determinants of the ...... ues in staphylococcal nuclease
@ast
Molecular determinants of the ...... ues in staphylococcal nuclease
@en
Molecular determinants of the ...... ues in staphylococcal nuclease
@nl
type
label
Molecular determinants of the ...... ues in staphylococcal nuclease
@ast
Molecular determinants of the ...... ues in staphylococcal nuclease
@en
Molecular determinants of the ...... ues in staphylococcal nuclease
@nl
prefLabel
Molecular determinants of the ...... ues in staphylococcal nuclease
@ast
Molecular determinants of the ...... ues in staphylococcal nuclease
@en
Molecular determinants of the ...... ues in staphylococcal nuclease
@nl
P2093
P2860
P356
P1433
P1476
Molecular determinants of the ...... ues in staphylococcal nuclease
@en
P2093
Ananya Majumdar
Bertrand E García-Moreno
Carlos A Castañeda
Carolyn A Fitch
Jamie L Schlessman
Victor Khangulov
P2860
P304
P356
10.1002/PROT.22470
P407
P577
2009-11-15T00:00:00Z