Search Results - Ornstein, R.L

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  1. 1
    A Theoretical Study of the Structures of Flavin in Different Oxidation and Protonation States

    A Theoretical Study of the Structures of Flavin in Different Oxidation and Protonation States by Zheng, Ya-Jun, Ornstein, Rick L

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  2. 2
    Molecular dynamics study of time-correlated protein domain motions and molecular flexibility: cytochrome P450BM-3

    Molecular dynamics study of time-correlated protein domain motions and molecular flexibility: cytochrome P450BM-3 by Arnold, G.E., Ornstein, R.L.

    Published in Biophysical journal
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  3. 3
    Effect of periodic box size on aqueous molecular dynamics simulation of a DNA dodecamer with particle-mesh Ewald method

    Effect of periodic box size on aqueous molecular dynamics simulation of a DNA dodecamer with particle-mesh Ewald method by de Souza, O.N., Ornstein, R.L.

    Published in Biophysical journal
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  4. 4
    Determination of Two Structural Forms of Catalytic Bridging Ligand in Zinc−Phosphotriesterase by Molecular Dynamics Simulation and Quantum Chemical Calculation

    Determination of Two Structural Forms of Catalytic Bridging Ligand in Zinc−Phosphotriesterase by Molecular Dynamics Simulation and Quantum Chemical Calculation by Zhan, Chang-Guo, de Souza, Osmar Norberto, Rittenhouse, Robert, Ornstein, Rick L

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  5. 5
    Theoretical Studies of Fundamental Pathways for Alkaline Hydrolysis of Carboxylic Acid Esters in Gas Phase

    Theoretical Studies of Fundamental Pathways for Alkaline Hydrolysis of Carboxylic Acid Esters in Gas Phase by Zhan, Chang-Guo, Landry, Donald W, Ornstein, Rick L

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  6. 6
    A Molecular Dynamics and Quantum Mechanics Analysis of the Effect of DMSO on Enzyme Structure and Dynamics:  Subtilisin

    A Molecular Dynamics and Quantum Mechanics Analysis of the Effect of DMSO on Enzyme Structure and Dynamics:  Subtilisin by Zheng, Ya-Jun, Ornstein, Rick L

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  7. 7
    What Happens to Salt-Bridges in Nonaqueous Environments:  Insights from Quantum Mechanics Calculations

    What Happens to Salt-Bridges in Nonaqueous Environments:  Insights from Quantum Mechanics Calculations by Zheng, Ya-Jun, Ornstein, Rick L

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  8. 8
    Mechanism of Nucleophilic Aromatic Substitution of 1-Chloro-2,4-dinitrobenzene by Glutathione in the Gas Phase and in Solution. Implications for the Mode of Action of Glutathione S-Transferases

    Mechanism of Nucleophilic Aromatic Substitution of 1-Chloro-2,4-dinitrobenzene by Glutathione in the Gas Phase and in Solution. Implications for the Mode of Action of Glutathione S... by Zheng, Ya-Jun, Ornstein, Rick L

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  9. 9
    Role of Active Site Tyrosine in Glutathione S-Transferase:  Insights from a Theoretical Study on Model Systems

    Role of Active Site Tyrosine in Glutathione S-Transferase:  Insights from a Theoretical Study on Model Systems by Zheng, Ya-Jun, Ornstein, Rick L

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  10. 10
    A combined density functional theory/molecular mechanics formalism and its application to small water clusters

    A combined density functional theory/molecular mechanics formalism and its application to small water clusters by Long, X.P, Nicholas, J.B, Guest, M.F, Ornstein, R.L

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  11. 11
    Rational approach to improving reductive catalysis by cytochrome P450cam

    Rational approach to improving reductive catalysis by cytochrome P450cam by Manchester, J.I., Ornstein, R.L.

    Published in Biochimie
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  12. 12
    Protein structure prediction based on statistical potential

    Protein structure prediction based on statistical potential by Sun, S., Luo, N., Ornstein, R.L., Rein, R.

    Published in Biophysical journal
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