Key role of electrostatic interactions in bacteriorhodopsin proton transfer.
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MoD-QM/MM Structural Refinement Method: Characterization of Hydrogen Bonding in the Oxytricha nova G-QuadruplexFactors influencing the energetics of electron and proton transfers in proteins. What can be learned from calculations.Structural changes in the L photointermediate of bacteriorhodopsin.A natural light-driven inward proton pump.Assessment of the Density Functional Tight Binding Method for Protic Ionic LiquidsExcitation of the L intermediate of bacteriorhodopsin: electric responses to test x-ray structures.Application of the SCC-DFTB method to neutral and protonated water clusters and bulk water.Prechemistry versus preorganization in DNA replication fidelity.Water as a cofactor in the unidirectional light-driven proton transfer steps in bacteriorhodopsin.Structural and energetic determinants of primary proton transfer in bacteriorhodopsin.Amino acids with an intermolecular proton bond as proton storage site in bacteriorhodopsin.Description of phosphate hydrolysis reactions with the Self-Consistent-Charge Density-Functional-Tight-Binding (SCC-DFTB) theory. 1. Parameterization.Functional role of Asp160 and the deprotonation mechanism of ammonium in the Escherichia coli ammonia channel protein AmtB.Functional electric field changes in photoactivated proteins revealed by ultrafast Stark spectroscopy of the Trp residues.Toward theoretical analysis of long-range proton transfer kinetics in biomolecular pumps.Long-distance proton transfer with a break in the bacteriorhodopsin active site.Why nature really chose phosphate.Protonation-state-Coupled Conformational Dynamics in Reaction Mechanisms of Channel and Pump Rhodopsins.The energetics of the primary proton transfer in bacteriorhodopsin revisited: it is a sequential light-induced charge separation after allA role for internal water molecules in proton affinity changes in the Schiff base and Asp85 for one-way proton transfer in bacteriorhodopsin.Density functional tight binding: values of semi-empirical methods in an ab initio era.DFTB3: Extension of the self-consistent-charge density-functional tight-binding method (SCC-DFTB).Exploring the mechanism of DNA polymerases by analyzing the effect of mutations of active site acidic groups in Polymerase βWater pathways in the bacteriorhodopsin proton pump.On the role of interfacial hydrogen bonds in "on-water" catalysis.Excitation energies of a water-bridged twisted retinal structure in the bacteriorhodopsin proton pump: a theoretical investigation.Dynamics of the Plasma Membrane Proton Pump.Excited-state calculations with TD-DFT: from benchmarks to simulations in complex environmentsMechanism by which water and protein electrostatic interactions control proton transfer at the active site of channelrhodopsin
P2860
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P2860
Key role of electrostatic interactions in bacteriorhodopsin proton transfer.
description
2004 nî lūn-bûn
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2004年の論文
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2004年学术文章
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2004年学术文章
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2004年学术文章
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2004年学术文章
@zh-hans
2004年学术文章
@zh-my
2004年学术文章
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2004年學術文章
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name
Key role of electrostatic interactions in bacteriorhodopsin proton transfer.
@en
Key role of electrostatic interactions in bacteriorhodopsin proton transfer.
@nl
type
label
Key role of electrostatic interactions in bacteriorhodopsin proton transfer.
@en
Key role of electrostatic interactions in bacteriorhodopsin proton transfer.
@nl
prefLabel
Key role of electrostatic interactions in bacteriorhodopsin proton transfer.
@en
Key role of electrostatic interactions in bacteriorhodopsin proton transfer.
@nl
P2093
P356
P1476
Key role of electrostatic interactions in bacteriorhodopsin proton transfer.
@en
P2093
Marcus Elstner
Stefan Fischer
Sándor Suhai
P304
14668-14677
P356
10.1021/JA047982I
P407
P577
2004-11-01T00:00:00Z