Multiple-site titration curves of proteins: an analysis of exact and approximate methods for their calculation
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Accurate, conformation-dependent predictions of solvent effects on protein ionization constantsSubstrate specificity of fluoroacetate dehalogenase: an insight from crystallographic analysis, fluorescence spectroscopy, and theoretical computationspH-Dependent conformational changes in proteins and their effect on experimental pK(a)s: the case of Nitrophorin 4GMCT : A Monte Carlo simulation package for macromolecular receptorsTanford-Kirkwood electrostatics for protein modeling.Determination of free acidic and alkaline residues of protein via moving reaction boundary titration in microdevice electrophoresis.Random walk in orthogonal space to achieve efficient free-energy simulation of complex systemsA method to rationally increase protein stability based on the charge-charge interaction, with application to lipase LipK107.Site-specific contributions to the pH dependence of protein stabilityMultiple pH regime molecular dynamics simulation for pK calculations.THEMATICS: a simple computational predictor of enzyme function from structureProtonation/deprotonation effects on the stability of the Trp-cage miniprotein.Photo-switchable tweezers illuminate pore-opening motions of an ATP-gated P2X ion channelMyosin MyTH4-FERM structures highlight important principles of convergent evolution.Improvement of the thermostability and catalytic efficiency of a highly active β-glucanase from Talaromyces leycettanus JCM12802 by optimizing residual charge-charge interactions.A gating mechanism of pentameric ligand-gated ion channels.Modeling of denatured state for calculation of the electrostatic contribution to protein stability.Conformational and oligomeric effects on the cysteine pK(a) of tryparedoxin peroxidaseCalculating pH-dependent free energy of proteins by using Monte Carlo protonation probabilities of ionizable residues.A mathematical view on the decoupled sites representation.The role of hydrophobic microenvironments in modulating pKa shifts in proteins.Active site prediction for comparative model structures with thematics.Distinguishing two groups of flavin reductases by analyzing the protonation state of an active site carboxylic acid.Un-gating and allosteric modulation of a pentameric ligand-gated ion channel captured by molecular dynamics.Model for screened, charge-regulated electrostatics of an eye lens protein: Bovine gammaB-crystallin.irGPU.proton.Net: Irregular strong charge interaction networks of protonatable groups in protein molecules--a GPU solver using the fast multipole method and statistical thermodynamics.Subtle.Nets.Finder: finely tuned interaction networks in DNA/RNA/protein complexes.Charge-regulation phase transition on surface lattices of titratable sites adjacent to electrolyte solutions: An analog of the Ising antiferromagnet in a magnetic field.A parameterized, continuum electrostatic model for predicting protein pKa values.Identifying functional sites based on prediction of charged group behavior.Roles of electrostatic interaction in proteins.Structure-based pKa calculations using continuum electrostatics methods.Acidic range titration of HEWL using a constant-pH molecular dynamics method.Improving the accuracy of protein pKa calculations: conformational averaging versus the average structure.Model for calculation of electrostatic interactions in unfolded proteins.On the interaction of different types of ligands binding to the same molecule Part II: systems with n to 2 and n to 3 binding sitesOn the interaction of two different types of ligands binding to the same molecule part I: basics and the transfer of the decoupled sites representation to systems with n and one binding sites
P2860
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P2860
Multiple-site titration curves of proteins: an analysis of exact and approximate methods for their calculation
description
1991 nî lūn-bûn
@nan
1991 թուականի Նոյեմբերին հրատարակուած գիտական յօդուած
@hyw
1991 թվականի նոյեմբերին հրատարակված գիտական հոդված
@hy
1991年の論文
@ja
1991年論文
@yue
1991年論文
@zh-hant
1991年論文
@zh-hk
1991年論文
@zh-mo
1991年論文
@zh-tw
1991年论文
@wuu
name
Multiple-site titration curves ...... methods for their calculation
@ast
Multiple-site titration curves ...... methods for their calculation
@en
type
label
Multiple-site titration curves ...... methods for their calculation
@ast
Multiple-site titration curves ...... methods for their calculation
@en
prefLabel
Multiple-site titration curves ...... methods for their calculation
@ast
Multiple-site titration curves ...... methods for their calculation
@en
P3181
P356
P1476
Multiple-site titration curves ...... methods for their calculation
@en
P2093
Donald Bashford
P304
P3181
P356
10.1021/J100176A093
P577
1991-11-01T00:00:00Z