Donald, Jason E; Zhang, Yao; Fiorin, Giacomo et al. (2011) Transmembrane orientation and possible role of the fusogenic peptide from parainfluenza virus 5 (PIV5) in promoting fusion. Proc Natl Acad Sci U S A 108:3958-63
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Delemotte, Lucie; Treptow, Werner; Klein, Michael L et al. (2010) Effect of sensor domain mutations on the properties of voltage-gated ion channels: molecular dynamics studies of the potassium channel Kv1.2. Biophys J 99:L72-4
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Shinoda, Wataru; DeVane, Russell; Klein, Michael L (2010) Zwitterionic lipid assemblies: molecular dynamics studies of monolayers, bilayers, and vesicles using a new coarse grain force field. J Phys Chem B 114:6836-49
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Pantano, Diego A; Klein, Michael L (2009) Characterization of membrane-protein interactions for the leucine transporter from Aquifex aeolicus by molecular dynamics calculations. J Phys Chem B 113:13715-22
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Hénin, Jérôme; Shinoda, Wataru; Klein, Michael L (2009) Models for phosphatidylglycerol lipids put to a structural test. J Phys Chem B 113:6958-63
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Devane, Russell; Shinoda, Wataru; Moore, Preston B et al. (2009) A Transferable Coarse Grain Non-bonded Interaction Model For Amino Acids. J Chem Theory Comput 5:2115-2124
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Treptow, Werner; Tarek, Mounir; Klein, Michael L (2009) Initial response of the potassium channel voltage sensor to a transmembrane potential. J Am Chem Soc 131:2107-9
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Khurana, Ekta; DeVane, Russell H; Kohlmeyer, Axel et al. (2008) Probing peptide nanotube self-assembly at a liquid-liquid interface with coarse-grained molecular dynamics. Nano Lett 8:3626-30
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Klein, Michael L; Shinoda, Wataru (2008) Large-scale molecular dynamics simulations of self-assembling systems. Science 321:798-800
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Domene, Carmen; Klein, Michael L; Branduardi, Davide et al. (2008) Conformational changes and gating at the selectivity filter of potassium channels. J Am Chem Soc 130:9474-80
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