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Continuum Electrostatics And MM-PBSA

Chem 388: Molecular Dynamics and Molecular Modeling. Topics. Poisson EquationPoisson-Boltzmann EquationFinite Difference MethodBorn ModelGeneralized BornHydrophobic effectFree Energy Component Analysis. Chem 388: Molecular Dynamics and Molecular Modeling. Electrostatics in Molecular Biophysics

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Continuum Electrostatics And MM-PBSA

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    1. Chem 388: Molecular Dynamics and Molecular Modeling Continuum Electrostatics And MM-PBSA

    2. Chem 388: Molecular Dynamics and Molecular Modeling Topics Poisson Equation Poisson-Boltzmann Equation Finite Difference Method Born Model Generalized Born Hydrophobic effect Free Energy Component Analysis

    3. Chem 388: Molecular Dynamics and Molecular Modeling Electrostatics in Molecular Biophysics Electrostatic interactions are very long-ranged Most of the common biological macromolecules are highly charged so we cannot simply ignore electrostatic interactions! The cytoplasm of cells contains a relatively high concentration of dissolved ions such as Na+, Ca2+ and Cl-

    4. Chem 388: Molecular Dynamics and Molecular Modeling Electrostatic Steering

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