Theoretical investigation of infrared spectra and pocket dynamics of photodissociated carbonmonoxy myoglobin.
about
Docking and migration of carbon monoxide in nitrogenase: the case for gated pockets from infrared spectroscopy and molecular dynamicsElectrostatic Fields near the Active Site of Human Aldose Reductase: 2. New Inhibitors and Complications Caused by Hydrogen Bonds2D IR spectra of cyanide in water investigated by molecular dynamics simulations.Unveiling functional protein motions with picosecond x-ray crystallography and molecular dynamics simulationsProtein ligand migration mapped by nonequilibrium 2D-IR exchange spectroscopy.Binding and docking interactions of NO, CO and O₂in heme proteins as probed by density functional theoryA fluctuating quantum model of the CO vibration in carboxyhemoglobin.Studying reactive processes with classical dynamics: rebinding dynamics in MbNO.Two ligand-binding sites in the O2-sensing signal transducer HemAT: implications for ligand recognition/discrimination and signaling.Quantifying the importance of protein conformation on ligand migration in myoglobinThe role of higher CO-multipole moments in understanding the dynamics of photodissociated carbonmonoxide in myoglobinPhotolysis of Hi-CO Nitrogenase - Observation of a Plethora of Distinct CO Species using Infrared Spectroscopy.Structural assignment of spectra by characterization of conformational substates in bound MbCO.Nitric oxide dynamics in truncated hemoglobin: docking sites, migration pathways, and vibrational spectroscopy from molecular dynamics simulations.CO migration in native and mutant myoglobin: atomistic simulations for the understanding of protein function.Quantum mechanical calculation of electric fields and vibrational Stark shifts at active site of human aldose reductase.Solvation of fluoro-acetonitrile in water by 2D-IR spectroscopy: A combined experimental-computational study.Tertiary and quaternary structural basis of oxygen affinity in human hemoglobin as revealed by multiscale simulations.Theoretical characterization of carbon monoxide vibrational spectrum in sperm whale myoglobin distal pocket.Fourier transform infrared spectroscopy study of ligand photodissociation and migration in inducible nitric oxide synthase.Minimal distributed charges: Multipolar quality at the cost of point charge electrostatics.Ultrafast dynamics induced by the interaction of molecules with electromagnetic fields: Several quantum, semiclassical, and classical approaches.Mixed quantum-classical simulations of the vibrational relaxation of photolyzed carbon monoxide in a hemoprotein.Diffusive dynamics on multidimensional rough free energy surfaces.Dynamic multiple-scattering treatment of X-ray absorption: Parameterization of a new molecular dynamics force field for myoglobin
P2860
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P2860
Theoretical investigation of infrared spectra and pocket dynamics of photodissociated carbonmonoxy myoglobin.
description
2003 nî lūn-bûn
@nan
2003 թուականի Դեկտեմբերին հրատարակուած գիտական յօդուած
@hyw
2003 թվականի դեկտեմբերին հրատարակված գիտական հոդված
@hy
2003年の論文
@ja
2003年論文
@yue
2003年論文
@zh-hant
2003年論文
@zh-hk
2003年論文
@zh-mo
2003年論文
@zh-tw
2003年论文
@wuu
name
Theoretical investigation of i ...... ciated carbonmonoxy myoglobin.
@ast
Theoretical investigation of i ...... ciated carbonmonoxy myoglobin.
@en
Theoretical investigation of i ...... ciated carbonmonoxy myoglobin.
@nl
type
label
Theoretical investigation of i ...... ciated carbonmonoxy myoglobin.
@ast
Theoretical investigation of i ...... ciated carbonmonoxy myoglobin.
@en
Theoretical investigation of i ...... ciated carbonmonoxy myoglobin.
@nl
prefLabel
Theoretical investigation of i ...... ciated carbonmonoxy myoglobin.
@ast
Theoretical investigation of i ...... ciated carbonmonoxy myoglobin.
@en
Theoretical investigation of i ...... ciated carbonmonoxy myoglobin.
@nl
P2860
P1433
P1476
Theoretical investigation of i ...... ciated carbonmonoxy myoglobin.
@en
P2093
David R Nutt
Markus Meuwly
P2860
P304
P356
10.1016/S0006-3495(03)74779-1
P407
P577
2003-12-01T00:00:00Z