Conformation and hydrogen ion titration of proteins: a continuum electrostatic model with conformational flexibility.
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PCE: web tools to compute protein continuum electrostaticsThe catalytic aspartate is protonated in the Michaelis complex formed between trypsin and an in vitro evolved substrate-like inhibitor: a refined mechanism of serine protease actionGMCT : A Monte Carlo simulation package for macromolecular receptorsTanford-Kirkwood electrostatics for protein modeling.Proton binding to proteins: a free-energy component analysis using a dielectric continuum model.Factors influencing the energetics of electron and proton transfers in proteins. What can be learned from calculations.Electrostatics of cysteine residues in proteins: parameterization and validation of a simple model.Incorporating protein conformational flexibility into the calculation of pH-dependent protein properties.Determination of free acidic and alkaline residues of protein via moving reaction boundary titration in microdevice electrophoresis.Association of aminoglycosidic antibiotics with the ribosomal A-site studied with Brownian dynamicsDistance dependence and salt sensitivity of pairwise, coulombic interactions in a proteinExperimental pK(a) values of buried residues: analysis with continuum methods and role of water penetrationElectrostatic contributions to the stability of the GCN4 leucine zipper structure.Modeling structure and flexibility of Candida antarctica lipase B in organic solvents.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.Prediction of secondary ionization of the phosphate group in phosphotyrosine peptidesSimulations of a membrane-anchored peptide: structure, dynamics, and influence on bilayer properties.The triplex-hairpin transition in cytosine-rich DNA.Multiconformation continuum electrostatics analysis of the NhaA Na+/H+ antiporter of Escherichia coli with functional implications.Constant pH molecular dynamics of proteins in explicit solvent with proton tautomerism.Progress in the prediction of pKa values in proteinsThe Role of Electrostatic Interactions in Folding of β-ProteinsRapid calculation of protein pKa values using Rosetta.Intracellular pH sensors: design principles and functional significance.A fast and accurate computational approach to protein ionization.Progress in ab initio QM/MM free-energy simulations of electrostatic energies in proteins: accelerated QM/MM studies of pKa, redox reactions and solvation free energiesThree-dimensional studies of pathogenic peptides from the c-terminal of Trypanosoma cruzi ribosomal P proteins and their interaction with a monoclonal antibody structural model.Modification of quinone electrochemistry by the proteins in the biological electron transfer chains: examples from photosynthetic reaction centers.Why nature really chose phosphate.Molecular basis for pH sensitivity and proton transfer in green fluorescent protein: protonation and conformational substates from electrostatic calculationsOn-the-fly Numerical Surface Integration for Finite-Difference Poisson-Boltzmann Methods.The pH-induced release of iron from transferrin investigated with a continuum electrostatic model.Calculated pH-dependent population and protonation of carbon-monoxy-myoglobin conformers.Side-chain ionization states in a potassium channel.Calculated proton uptake on anaerobic reduction of cytochrome C oxidase: is the reaction electroneutral?Prediction of titration properties of structures of a protein derived from molecular dynamics trajectories.Electrostatic coupling to pH-titrating sites as a source of cooperativity in protein-ligand binding.Peptide conformer acidity analysis of protein flexibility monitored by hydrogen exchange.Histidine in continuum electrostatics protonation state calculations.
P2860
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P2860
Conformation and hydrogen ion titration of proteins: a continuum electrostatic model with conformational flexibility.
description
1995 nî lūn-bûn
@nan
1995 թուականի Նոյեմբերին հրատարակուած գիտական յօդուած
@hyw
1995 թվականի նոյեմբերին հրատարակված գիտական հոդված
@hy
1995年の論文
@ja
1995年論文
@yue
1995年論文
@zh-hant
1995年論文
@zh-hk
1995年論文
@zh-mo
1995年論文
@zh-tw
1995年论文
@wuu
name
Conformation and hydrogen ion ...... th conformational flexibility.
@ast
Conformation and hydrogen ion ...... th conformational flexibility.
@en
Conformation and hydrogen ion ...... th conformational flexibility.
@nl
type
label
Conformation and hydrogen ion ...... th conformational flexibility.
@ast
Conformation and hydrogen ion ...... th conformational flexibility.
@en
Conformation and hydrogen ion ...... th conformational flexibility.
@nl
prefLabel
Conformation and hydrogen ion ...... th conformational flexibility.
@ast
Conformation and hydrogen ion ...... th conformational flexibility.
@en
Conformation and hydrogen ion ...... th conformational flexibility.
@nl
P2860
P1433
P1476
Conformation and hydrogen ion ...... th conformational flexibility.
@en
P2093
P2860
P304
P356
10.1016/S0006-3495(95)80042-1
P407
P577
1995-11-01T00:00:00Z