Transferable Coarse Grain Nonbonded Interaction Model for Amino Acids von DeVane, Russell, Shinoda, Wataru, Moore, Preston B, Klein, Michael L

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Theoretical Modeling of Interface Specific Vibrational Spectroscopy:  Methods and Applications to Aqueous Interfaces von Perry, Angela, Neipert, Christine, Space, Brian, Moore, Preston B

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Understanding Nature's Design for a Nanosyringe von Lopez, Carlos F., Nielsen, Steve O., Moore, Preston B., Klein, Michael L., DeGrado, William F.

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Molecular Dynamics Simulations of Homo-oligomeric Bundles Embedded Within a Lipid Bilayer von Nguyen, Thuy Hien T., Liu, Zhiwei, Moore, Preston B.

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Raft registration across bilayers in a molecularly detailed model von Pantano, Diego A., Moore, Preston B., Klein, Michael L., Discher, Dennis E.

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Hydrogen Bonding Structure and Dynamics of Water at the Dimyristoylphosphatidylcholine Lipid Bilayer Surface from a Molecular Dynamics Simulation von Lopez, Carlos F, Nielsen, Steve O, Klein, Michael L, Moore, Preston B

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Molecular Dynamics Simulations of Surfactant Self-Organization at a Solid−Liquid Interface von Srinivas, Goundla, Nielsen, Steven O, Moore, Preston B, Klein, Michael L

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Simulations of Phospholipids Using a Coarse Grain Model von Shelley, John C, Shelley, Mee Y, Reeder, Robert C, Bandyopadhyay, Sanjoy, Moore, Preston B, Klein, Michael L

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A Molecular Dynamics Study of Aggregation Phenomena in Aqueous n-Propanol von Roney, Alfred B, Space, Brian, Castner, Edward W, Napoleon, Raeanne L, Moore, Preston B

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Molecular dynamics study of homo-oligomeric ion channels: Structures of the surrounding lipids and dynamics of water movement von Hien Nguyen, Thuy, C. Moore, Catherine, B. Moore, Preston, Liu, Zhiwei

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Dynamical Properties of a Hydrated Lipid Bilayer from a Multinanosecond Molecular Dynamics Simulation von Moore, Preston B., Lopez, Carlos F., Klein, Michael L.

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Recent progress in adaptive multiscale molecular dynamics simulations of soft matter von Nielsen, Steven O, Bulo, Rosa E, Moore, Preston B, Ensing, Bernd

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A theoretical description of the polarization dependence of the sum frequency generation spectroscopy of the water/vapor interface von Perry, Angela, Neipert, Christine, Kasprzyk, Christina Ridley, Green, Tony, Space, Brian, Moore, Preston B.

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Densely Packed Tethered Polymer Nanoislands: A Simulation Study von Chen, Nicolas, Davydovich, Oleg, McConnell, Caitlyn, Sidorenko, Alexander, Moore, Preston B.

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Area per Ligand as a Function of Nanoparticle Radius: A Theoretical and Computer Simulation Approach von Kalescky, Robert J. B, Shinoda, Wataru, Moore, Preston B, Nielsen, Steven O

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Adaptive multiscale molecular dynamics of macromolecular fluids von Nielsen, Steven O, Moore, Preston B, Ensing, Bernd

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Energy Conservation in Adaptive Hybrid Atomistic/Coarse-Grain Molecular Dynamics von Ensing, Bernd, Nielsen, Steven O, Moore, Preston B, Klein, Michael L, Parrinello, Michele

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A mean field approach for computing solid-liquid surface tension for nanoscale interfaces von Chiu, Chi-cheng, Ranatunga, R J K Udayana, Torres Flores, David, Pérez, D Vladimir, Moore, Preston B, Shinoda, Wataru, Nielsen, Steven O

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Quantitative Assessment of Force Fields on Both Low-Energy Conformational Basins and Transition-State Regions of the (ϕ−ψ) Space von Liu, Zhiwei, Ensing, Bernd, Moore, Preston B

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Size-dependent hydrophobic to hydrophilic transition for nanoparticles:A molecular dynamics study von Chiu, Chi-cheng, Moore, Preston B., Shinoda, Wataru, Nielsen, Steven O.

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