Protein hydration elucidated by molecular dynamics simulation.
about
X-ray crystal structures of a severely desiccated proteinHydration structure of human lysozyme investigated by molecular dynamics simulation and cryogenic X-ray crystal structure analyses: on the correlation between crystal water sites, solvent density, and solvent dipoleEffective energy function for proteins in solutionMolecular dynamics study of active-site interactions with tetracoordinate transients in acetylcholinesterase and its mutantsThermal fluctuations between conformational substates of the Fe(2+)-HisF8 linkage in deoxymyoglobin probed by the Raman active Fe-N epsilon (HisF8) stretching vibration.Dynamics of the Hck-SH3 domain: comparison of experiment with multiple molecular dynamics simulations.Adaptive resolution simulation of a biomolecule and its hydration shell: Structural and dynamical properties.Internal molecular motions of bacteriorhodopsin: hydration-induced flexibility studied by quasielastic incoherent neutron scattering using oriented purple membranes.Molecular dynamics of a protein surface: ion-residues interactionsDecomposition of protein experimental compressibility into intrinsic and hydration shell contributions.Hydration-coupled dynamics in proteins studied by neutron scattering and NMR: the case of the typical EF-hand calcium-binding parvalbumin.Unveiling functional protein motions with picosecond x-ray crystallography and molecular dynamics simulationsDynamics of Ca2+-saturated calmodulin D129N mutant studied by multiple molecular dynamics simulations.Structure and dynamics of calmodulin in solution.Hydrated myoglobin's anharmonic fluctuations are not primarily due to dihedral transitionsOrigin of slow relaxation following photoexcitation of W7 in myoglobin and the dynamics of its hydration layerStability and dynamics of G-actin: back-door water diffusion and behavior of a subdomain 3/4 loopPredicting the structure of apolipoprotein A-I in reconstituted high-density lipoprotein disks.Pressure effects on the proximal heme pocket in myoglobin probed by Raman and near-infrared absorption spectroscopy.Measurement of coherent Debye-Waller factor in in vivo deuterated C-phycocyanin by inelastic neutron scattering.Solvation, water permeation, and ionic selectivity of a putative model for the pore region of the voltage-gated sodium channel.Significance of bound water to local chain conformations in protein crystals.Nucleotide-dependent movements of the kinesin motor domain predicted by simulated annealing.Dynamical view of the positions of key side chains in protein-protein recognitionHydration of gas-phase ions formed by electrospray ionization.Biomolecular folding in vacuo!!!(?)A solvated ligand rotamer approach and its application in computational protein design.Implementing electrostatic polarization cannot fill the gap between experimental and theoretical measurements for the ultrafast fluorescence decay of myoglobin.Structure, dynamics and reactions of protein hydration water.Self-consistent treatment of the local dielectric permittivity and electrostatic potential in solution for polarizable macromolecular force fields.Molecular dynamics: survey of methods for simulating the activity of proteins.Effects of surface water on protein dynamics studied by a novel coarse-grained normal mode approach.Modeling heme proteins using atomistic simulations.Structure and dynamics of the water around myoglobinCalculation of translational friction and intrinsic viscosity. II. Application to globular proteinsNormal-mode analysis of the glycine alpha1 receptor by three separate methods.Incorporating dipolar solvents with variable density in Poisson-Boltzmann electrostatics.Glass transition in DNA from molecular dynamics simulations.Absolute free energy and entropy of a mobile loop of the enzyme acetylcholinesterase.Computer simulations of carbon monoxide photodissociation in myoglobin: structural interpretation of the B states.
P2860
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P2860
Protein hydration elucidated by molecular dynamics simulation.
description
1993 nî lūn-bûn
@nan
1993年の論文
@ja
1993年論文
@yue
1993年論文
@zh-hant
1993年論文
@zh-hk
1993年論文
@zh-mo
1993年論文
@zh-tw
1993年论文
@wuu
1993年论文
@zh
1993年论文
@zh-cn
name
Protein hydration elucidated by molecular dynamics simulation.
@ast
Protein hydration elucidated by molecular dynamics simulation.
@en
type
label
Protein hydration elucidated by molecular dynamics simulation.
@ast
Protein hydration elucidated by molecular dynamics simulation.
@en
prefLabel
Protein hydration elucidated by molecular dynamics simulation.
@ast
Protein hydration elucidated by molecular dynamics simulation.
@en
P2860
P356
P1476
Protein hydration elucidated by molecular dynamics simulation.
@en
P2093
Steinbach PJ
P2860
P304
P356
10.1073/PNAS.90.19.9135
P407
P577
1993-10-01T00:00:00Z