Performance of the AM1, PM3, and SCC-DFTB methods in the study of conjugated Schiff base molecules (Q57233451)

3

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Marcus Elstner

5

object named as

Marcus Elstner

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author name string

Hongyi Zhou

1

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Sándor Suhai

Role of internal water molecules in bacteriorhodopsin

4

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publication date

March 2002

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published in

Chemical Physics

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volume

277

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issue

2

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page(s)

91-103

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cites work

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Structural Determinants of Spectral Tuning in Retinal ProteinsBacteriorhodopsin vs Sensory Rhodopsin II#

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Conversion of light energy to electrostatic energy in the proton pump of Halobacterium halobium

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pKa of the protonated Schiff base and aspartic 85 in the bacteriorhodopsin binding site is controlled by a specific geometry between the two residues.

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Acid-base equilibrium of the Schiff base in bacteriorhodopsin.

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Controlling the pKa of the bacteriorhodopsin Schiff base by use of artificial retinal analogues

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X-ray structure of bacteriorhodopsin at 2.5 angstroms from microcrystals grown in lipidic cubic phases

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Proton transfer pathways in bacteriorhodopsin at 2.3 angstrom resolution

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Lipid patches in membrane protein oligomers: crystal structure of the bacteriorhodopsin-lipid complex

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Protein, lipid and water organization in bacteriorhodopsin crystals: a molecular view of the purple membrane at 1.9 A resolution

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High-resolution X-ray structure of an early intermediate in the bacteriorhodopsin photocycle

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Structure of bacteriorhodopsin at 1.55 A resolution

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Structural changes in bacteriorhodopsin during ion transport at 2 angstrom resolution

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Helix deformation is coupled to vectorial proton transport in the photocycle of bacteriorhodopsin

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Crystal structure of rhodopsin: A G protein-coupled receptor

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Photophysics and molecular electronic applications of the rhodopsins

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Bacteriorhodopsin as a model for proton pumps

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Charge stabilization mechanism in the visual and purple membrane pigments

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The C5H6NH2+Protonated Shiff Base: Anab InitioMinimal Model for Retinal Photoisomerization

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Ab InitioPhotoisomerization Dynamics of a Simple Retinal Chromophore Model

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Photoisomerization Path for a Realistic Retinal Chromophore Model: The Nonatetraeniminium Cation

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Development and use of quantum mechanical molecular models. 76. AM1: a new general purpose quantum mechanical molecular model

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Optimization of parameters for semiempirical methods I. Method

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Kinetic and spectroscopic effects of protein-chromophore electrostatic interactions in bacteriorhodopsin

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