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Abstracts Of Project Papers



Modeling The Folding And Hydrogen Production Of Clostridium acetobutylicum And Clostridium saccharobutylium Mutants Using Electrostatic Potential Surfaces And Molecular Dynamics

Electrostatic potential surfaces (EPS) were used with molecular dynamics to model the folding mechanisms and kinetics of hydrogenase mutants from wild types Clostridium acetobutylicum and Clostridium saccharobutylium. The purpose of the EPS approach was to incorporate long range electrostatic forces between widely separated regions of the mutants which contain 575 amino acids. Also, it was demonstrated that the ratio of positive to negative EPS of unfolded mutants could be used to predict the production of molecular hydrogen from the folded mutants. Using the prediction model, mutant compositions were determined that should yield hydrogen of up to 40 times that obtainable from the wild type Clostridium acetobutylicum. It is expected that the developed EPS techniques can be used to study the folding of other proteins and to predict the reactivity of the folded protein structures.

 

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Hydrocarbon Absorption In Molten Tetrachloroaluminates



Chemical Mechanisms In Hydrogen Sulfide Decomposition to Hydrogen and Sulfur



Solvent Effects In The Conversion of Anthraquinone to Antrahydroquinone and Simultaneously Hydrogen Sulfide to Hydrogen and Sulfur



Modeling The Folding and Hydrogen Production of Clostridium acetobutylicum and Clostridium saccharobutylium Mutants Using Electrostatic Potential Surfaces and Molecular Dynamics


Determination Of Mechanisms Via Computational Chemistry For Xylene And Hydroxynaphthalene Separations On Beta-Cyclodextrin




Development of a Liquid Extraction Process for Removal of Sulfur Compounds from Gasoline using Quantum/Molecular Mechanics Methods


Correlation of Rate and Michaelis Constants with Atomic Charge for the Dehydrogenation of Butyryl-CoA Derivatives Using Human Glutaryl-CoA Dehydrogenase


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