Internal and interfacial dielectric properties of cytochrome c from molecular dynamics in aqueous solution.
about
Statistical thermodynamics of hindered rotation from computer simulationsMolecular dynamics simulations of water within models of ion channels.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.Dielectric relaxation of cytochrome c oxidase: Comparison of the microscopic and continuum models.Progress in developing Poisson-Boltzmann equation solvers.Thermodynamic linkage between the binding of protons and inhibitors to HIV-1 protease.On the Dielectric "Constant" of Proteins: Smooth Dielectric Function for Macromolecular Modeling and Its Implementation in DelPhiUV resonance Raman determination of molecular mechanism of poly(N-isopropylacrylamide) volume phase transition.Prediction of the binding energy for small molecules, peptides and proteins.Structural origins of high apparent dielectric constants experienced by ionizable groups in the hydrophobic core of a proteinSalt effects on peptide conformers: a dielectric study of tuftsinCharges in the hydrophobic interior of proteins.Calculation of electron transfer reorganization energies using the finite difference Poisson-Boltzmann model.High apparent dielectric constants in the interior of a protein reflect water penetrationConducting-state properties of the KcsA potassium channel from molecular and Brownian dynamics simulations.Electrochromic shift of chlorophyll absorption in photosystem I from Synechocystis sp. PCC 6803: a probe of optical and dielectric properties around the secondary electron acceptor.Influence of the solvent structure on the electrostatic interactions in proteins.Proton transfer reactivity of large multiply charged ions.Low dielectric response in enzyme active site.Electrostatic potential energy within a protein monitored by metal charge-dependent hydrogen exchangeFrequency Dependent Non- Thermal Effects of Oscillating Electric Fields in the Microwave Region on the Properties of a Solvated Lysozyme System: A Molecular Dynamics StudyProline cis-trans isomerization in staphylococcal nuclease: multi-substrate free energy perturbation calculationsVoltage-gated Na channel selectivity: the role of the conserved domain III lysine residueChanging hydration level in an internal cavity modulates the proton affinity of a key glutamate in cytochrome c oxidase.Accounting for electronic polarization in non-polarizable force fields.Hypothesis: The unfolding power of protein dielectricity.Quantum mechanical study of the β- and δ-lyase reactions during the base excision repair process: application to FPG.Spatial distribution of dielectric shielding in the interior of Pyrococcus furiosus rubredoxin as sampled in the subnanosecond timeframe by hydrogen exchange.The high dielectric constant of staphylococcal nuclease is encoded in its structural architectureAccuracy of continuum electrostatic calculations based on three common dielectric boundary definitions.Hydrated and dehydrated tertiary interactions--opening and closing--of a four-helix bundle peptide.Electronic continuum model for molecular dynamics simulations.The dielectric properties of water within model transbilayer pores.pKa predictions for proteins, RNAs, and DNAs with the Gaussian dielectric function using DelPhi pKa.Recognition and binding of a helix-loop-helix peptide to carbonic anhydrase occurs via partly folded intermediate structures.MCCE2: improving protein pKa calculations with extensive side chain rotamer sampling.pKa predictions with a coupled finite difference Poisson-Boltzmann and Debye-Hückel method.Electronic continuum model for molecular dynamics simulations of biological molecules.Importance of the ion-pair interactions in the OPEP coarse-grained force field: parametrization and validation.
P2860
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P2860
Internal and interfacial dielectric properties of cytochrome c from molecular dynamics in aqueous solution.
description
1995 nî lūn-bûn
@nan
1995 թուականի Փետրուարին հրատարակուած գիտական յօդուած
@hyw
1995 թվականի փետրվարին 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
Internal and interfacial diele ...... dynamics in aqueous solution.
@ast
Internal and interfacial diele ...... dynamics in aqueous solution.
@en
Internal and interfacial diele ...... dynamics in aqueous solution.
@nl
type
label
Internal and interfacial diele ...... dynamics in aqueous solution.
@ast
Internal and interfacial diele ...... dynamics in aqueous solution.
@en
Internal and interfacial diele ...... dynamics in aqueous solution.
@nl
prefLabel
Internal and interfacial diele ...... dynamics in aqueous solution.
@ast
Internal and interfacial diele ...... dynamics in aqueous solution.
@en
Internal and interfacial diele ...... dynamics in aqueous solution.
@nl
P2860
P356
P1476
Internal and interfacial diele ...... dynamics in aqueous solution.
@en
P2093
P2860
P304
P356
10.1073/PNAS.92.4.1082
P407
P577
1995-02-01T00:00:00Z