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Implicit solvation / Lipid bilayer / Membrane protein / Hydrophobic mismatch / Peripheral membrane protein / Cell membrane / Hydrophobicity scales / Hydrophobic effect / Orientations of Proteins in Membranes database / Biology / Membrane biology / Chemistry


ARTICLE pubs.acs.org/jcim Anisotropic Solvent Model of the Lipid Bilayer. 2. Energetics of Insertion of Small Molecules, Peptides, and Proteins in Membranes Andrei L. Lomize,* Irina D. Pogozheva, and Henry I Mosberg
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Document Date: 2011-07-19 15:53:28


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Ann Arbor / Phe / /

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Nþ / Quanta / Si xSAq / analogue ASA / ðzÞ ASA / CdO / Accelrys Inc. / /

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Environmental Issue / /

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College of Pharmacy / University of Michigan / /

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transfer free energy / electrostatic self-energy / lowest transfer energy / define transfer energy / energy profiles / nonpolar solution / free energy difference / energy penalty / solute / machinery / different systems / energy values / energy minima / lower energy / phosphatidylcholine / low-energy area / ionization energy / electrostatic transfer energy / aqueous solution / energy functions / local energy minimization / pronounced energy minima / energy / lipid acyl chain / statistical energy curves / membrane binding energy / physical energy profiles / transbilayer energy profiles / physical energy curves / similar chemical structure / energy gain / wider negative energy areas / Statistical energy / energy interval / transfer energy / electrostatic energy / energy cost / wider statistical energy curves / Transfer energy profiles / dipolar energy / energy conversion / charged lipid groups / narrow low-energy areas / energy preferences / immobilization energy / ionizable / guanidine / statistical energy profiles / lipid solution / positive transfer energy / solvation energy / statistical and physical energy profiles / aqueous solutions / wide low-energy areas / ionizable groups / acyl chain / surface transfer energy / external software / hydrophobic solution / /

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College of Pharmacy / University of Michigan / Mosberg Department of Medicinal Chemistry / American Chemical Society / /

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Elip / Henry I Mosberg / /

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Universal Solvation Model for Anisotropic Environment / Walker / RT / σCOO / /

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nicotine / /

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Ohio / Alabama / Michigan / New Hampshire / /

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X-ray / dielectric / simulation / /

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