Unveiling functional protein motions with picosecond x-ray crystallography and molecular dynamics simulations
about
Myoglobin strikes back.Dynamics of a myoglobin mutant enzyme: 2D IR vibrational echo experiments and simulations.Atomic level computational identification of ligand migration pathways between solvent and binding site in myoglobin.Multiple pathways guide oxygen diffusion into flavoenzyme active sites.Hydrophobic effect drives oxygen uptake in myoglobin via histidine E7Internal water and microsecond dynamics in myoglobinUltrafast anisotropic protein quake propagation after CO photodissociation in myoglobin.CO migration pathways in cytochrome P450cam studied by molecular dynamics simulations.Real-time tracking of CO migration and binding in the α and β subunits of human hemoglobin via 150-ps time-resolved Laue crystallographyFull kinetics of CO entry, internal diffusion, and exit in myoglobin from transition-path theory simulations.Ligand-induced protein responses and mechanical signal propagation described by linear response theoriesStudying reactive processes with classical dynamics: rebinding dynamics in MbNO.Extended subnanosecond structural dynamics of myoglobin revealed by Laue crystallography.Viscosity-dependent protein dynamicsPrimary protein response after ligand photodissociation in carbonmonoxy myoglobinLigand recombination and a hierarchy of solvent slaved dynamics: the origin of kinetic phases in hemeproteins.O2 migration pathways are not conserved across proteins of a similar fold.Role of Na+ and K+ in enzyme function.Modeling heme proteins using atomistic simulations.A computational study of water and CO migration sites and channels inside myoglobin.Bubbles, gating, and anesthetics in ion channelsAn engineered heme-copper center in myoglobin: CO migration and binding.Ligand diffusion in globins: simulations versus experiment.Protein collective motions coupled to ligand migration in myoglobin.The kinetics of ligand migration in crystallized myoglobin as revealed by molecular dynamics simulations.Quantitative delineation of how breathing motions open ligand migration channels in myoglobin and its mutants.Temperature-dependent studies of NO recombination to heme and heme proteins.Molecular dynamics simulation of sperm whale myoglobin: effects of mutations and trapped CO on the structure and dynamics of cavities.The structure of neuroglobin at high Xe and Kr pressure reveals partial conservation of globin internal cavities.CO rebinding to protoheme: investigations of the proximal and distal contributions to the geminate rebinding barrierOn the role of thermal backbone fluctuations in myoglobin ligand gate dynamics.Photochemical tools to study dynamic biological processes.Ligand and substrate migration in human indoleamine 2,3-dioxygenase.Molecular dynamics study of hell's gate globin I (HGbI) from a methanotrophic extremophile: oxygen migration through a large cavity.Effects of distal mutation on the dynamic properties of carboxycytoglobin: a molecular dynamics simulation study.Computational studies of LXR molecular interactions reveal an allosteric communication pathway.Predicting loop conformational ensembles.Dynamic coupling between coordinates in a model for biomolecular isomerization.A microscopic model for gas diffusion dynamics in a [NiFe]-hydrogenase.Dynamic multiple-scattering treatment of X-ray absorption: Parameterization of a new molecular dynamics force field for myoglobin
P2860
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P2860
Unveiling functional protein motions with picosecond x-ray crystallography and molecular dynamics simulations
description
2004 nî lūn-bûn
@nan
2004 թուականի Հոկտեմբերին հրատարակուած գիտական յօդուած
@hyw
2004 թվականի հոտեմբերին հրատարակված գիտական հոդված
@hy
2004年の論文
@ja
2004年論文
@yue
2004年論文
@zh-hant
2004年論文
@zh-hk
2004年論文
@zh-mo
2004年論文
@zh-tw
2004年论文
@wuu
name
Unveiling functional protein m ...... molecular dynamics simulations
@ast
Unveiling functional protein m ...... molecular dynamics simulations
@en
type
label
Unveiling functional protein m ...... molecular dynamics simulations
@ast
Unveiling functional protein m ...... molecular dynamics simulations
@en
prefLabel
Unveiling functional protein m ...... molecular dynamics simulations
@ast
Unveiling functional protein m ...... molecular dynamics simulations
@en
P2860
P356
P1476
Unveiling functional protein m ...... molecular dynamics simulations
@en
P2093
Friedrich Schotte
Philip A Anfinrud
P2860
P304
15330-15334
P356
10.1073/PNAS.0405295101
P407
P577
2004-10-15T00:00:00Z