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Keyword [Implicit solvent]
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1. Calculation Of Solvation Free Energy By Multi-scale Modeling
2. Molecular Dynamics Simulation Of The Interaction Of A Hydrophilic Structurally Modified Polyurethane Material With The Calcium-binding EGF-like Domain Of The Factor FIX
3. Implicit solvent method development and application: Fast molecular surfaces, constant pH and accelerated dynamics, and rational drug design
4. Enhancements to implicit solvent modeling of peptides in water and in lipid bilayers
5. Applications of theoretical chemistry: Effective Hamiltonian studies of calcium hydroxide and implicit solvent simulations of poly(ethylene oxide)
6. Computational Method For The Constant-potential Free Energy And Its Application In Electrochemistry
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