Dielectric properties of proteins from simulation: the effects of solvent, ligands, pH, and temperature.
about
A Review: Origins of the Dielectric Properties of Proteins and Potential Development as Bio-SensorsA buried lysine that titrates with a normal pKa: Role of conformational flexibility at the protein-water interface as a determinant of pKavaluesProton binding to proteins: a free-energy component analysis using a dielectric continuum model.Mapping local protein electrostatics by EPR of pH-sensitive thiol-specific nitroxide.Dielectric relaxation of cytochrome c oxidase: Comparison of the microscopic and continuum models.Stabilization of internal charges in a protein: water penetration or conformational change?Structural origins of high apparent dielectric constants experienced by ionizable groups in the hydrophobic core of a proteinConducting-state properties of the KcsA potassium channel from molecular and Brownian dynamics simulations.Role of the dielectric constants of membrane proteins and channel water in ion permeation.Conduction mechanisms of chloride ions in ClC-type channelsElectrochromic shift of chlorophyll absorption in photosystem I from Synechocystis sp. PCC 6803: a probe of optical and dielectric properties around the secondary electron acceptor.Ion permeation through the alpha-hemolysin channel: theoretical studies based on Brownian dynamics and Poisson-Nernst-Plank electrodiffusion theoryA consistent experimental and modeling approach to light-scattering studies of protein-protein interactions in solution.Dipole Moment and Binding Energy of Water in Proteins from Crystallographic AnalysisRecognition of ribonuclease A by 3'-5'-pyrophosphate-linked dinucleotide inhibitors: a molecular dynamics/continuum electrostatics analysis.On the importance of atomic fluctuations, protein flexibility, and solvent in ion permeationA fast and accurate computational approach to protein ionization.Molecular basis for cation selectivity in claudin-2-based paracellular pores: identification of an electrostatic interaction siteAdvantage of being a dimer for Serratia marcescens endonucleaseIons and inhibitors in the binding site of HIV protease: comparison of Monte Carlo simulations and the linearized Poisson-Boltzmann theoryA Monte-Carlo simulation of ionic conductivity and viscosity of highly concentrated electrolytes based on a pseudo-lattice model.The structural stability and catalytic activity of DNA and RNA oligonucleotides in the presence of organic solvents.Continuum and atomistic modeling of ion partitioning into a peptide nanotube.Characterization of the ligand-binding site of the serotonin 5-HT3 receptor: the role of glutamate residues 97, 224, AND 235.Water-exclusion and liquid-structure forces in implicit solvation.Dielectrophoretic properties of engineered protein patterned colloidal particles.Absolute binding-free energies between standard RNA/DNA nucleobases and amino-acid sidechain analogs in different environments.Molecular dynamics simulations of the dinuclear zinc-beta-lactamase from Bacteroides fragilis complexed with imipenem.Membrane Position Dependency of the pKa and Conductivity of the Protein Ion Channel.Sequence-Specific Polyampholyte Phase Separation in Membraneless Organelles.Examination of the quality of various force fields and solvation models for the equilibrium simulations of GA88 and GB88.Monte Carlo simulations of proteins at constant pH with generalized Born solvent, flexible sidechains, and an effective dielectric boundary.Cubic equation governing the outer-region dielectric constant of globular proteins.A demonstration of the inhomogeneity of the local dielectric response of proteins by molecular dynamics simulations.Conformer-selective photoelectron spectroscopy of α-lactalbumin derived multianions in the gas phaseEffect of glycerol and dimethyl sulfoxide on the phase behavior of lysozyme: theory and experimentsElectrostatics of the protein-water interface and the dynamical transition in proteinsA theory for the anisotropic and inhomogeneous dielectric properties of proteinsBiological applications of classical electrostatics methods
P2860
Q26741415-FC03128E-EB15-41A0-AA97-F6781BA09642Q27650168-B1DD5411-3FE0-4EA3-8184-3F60947E01DBQ30350529-6FC2B868-446D-4948-9C2B-DD2CD4FF643AQ30368938-25EBD6E0-B51B-4DF6-8E64-7BD91651BD3DQ30375292-47DE8B9D-B35D-441B-B24A-BD8C44D5D6E2Q33206951-50560A59-8722-4D21-BCA9-7BD2408AAAB7Q33741248-F2D6A88D-EA16-4ACC-ADA2-5A5DAD366996Q34177123-2BA5326D-23CB-4D89-B041-69A2F7C968C0Q34181025-41C9A219-C393-4CB6-96D8-D47F994BECF3Q34184812-94E8C076-7BF7-4D16-9B6B-70626A1FEECDQ34185693-DB3C9006-738F-4C32-82AA-AF41B9B2EA1DQ34187301-B548D575-73FA-42E7-A33B-A6D0470B2E53Q34190174-350EDDBE-EA93-471B-B337-9D797E29E5BFQ34337377-6699FE53-D173-4AC3-8F8C-B5C823144727Q35632936-057874CF-A6CB-4AF8-955C-9E0A254AC5E0Q36445767-3E303332-4E54-4D06-BF96-E320D8F2530CQ36962666-60FD506A-4A21-48E0-AF8A-1D0191C5E51BQ37023274-78ABC7EE-25CD-4078-9AFC-A593F385E935Q37104807-22AA8D60-C577-4993-9663-5EBB2AF93741Q37279262-054E5959-ABF1-4737-BC5F-E77F6561424BQ38666785-C7E754CC-D6A6-480F-8F21-CE2551E871ADQ39310715-F5866E55-397F-43A5-B113-45A134121B44Q40202117-3D2C862A-F049-40B7-B51B-FDCA5184294AQ40661035-AB865820-4BFA-4304-A378-C3B6B3D39847Q41928427-96BEE581-3E39-49DF-8C5F-BBAD558C0997Q42117201-6AAEF0B3-5FE4-4FB8-8211-C18D5B3A7557Q43153540-A8882674-B640-49BE-9415-71E2EE2259D7Q44190840-A6A8E932-1D5B-4801-902B-4051DD21AA2DQ47713325-F1D9DE3B-00E2-4DF1-BFC2-14BD6C38029AQ51338810-D3F2422F-EE5A-4196-B3C4-702597286539Q51654036-B8FF013B-C1AA-4DBC-8822-E701EF3EE732Q51777312-436D02CE-46A2-4624-AB8D-863D4D5075A1Q51920173-B0CD5323-F38F-4140-B66C-86F97EC30D25Q52847496-DC2ECE17-00EB-42EB-87F0-89CCBEBE2AB3Q57124812-B764DFB5-548B-468C-B555-4E07DAE912ECQ57128226-40EE8359-C981-4648-BA57-DE55C1C5D407Q57129212-E932D5C7-8A57-4D0B-AB03-0C03D7A601AFQ57129535-5C27A772-DC75-4877-AE5F-8A177FF611DBQ57274992-9557BFAC-433D-4C1F-AB3D-3F284586F6C1
P2860
Dielectric properties of proteins from simulation: the effects of solvent, ligands, pH, and temperature.
description
2001 nî lūn-bûn
@nan
2001年の論文
@ja
2001年論文
@yue
2001年論文
@zh-hant
2001年論文
@zh-hk
2001年論文
@zh-mo
2001年論文
@zh-tw
2001年论文
@wuu
2001年论文
@zh
2001年论文
@zh-cn
name
Dielectric properties of prote ...... ligands, pH, and temperature.
@en
type
label
Dielectric properties of prote ...... ligands, pH, and temperature.
@en
prefLabel
Dielectric properties of prote ...... ligands, pH, and temperature.
@en
P2093
P2860
P1433
P1476
Dielectric properties of prote ...... ligands, pH, and temperature.
@en
P2093
J W Pitera
W F van Gunsteren
P2860
P304
P356
10.1016/S0006-3495(01)76226-1
P407
P577
2001-06-01T00:00:00Z