2012
| 35 | Coexistence of dilute and densely packed domains of ligand-receptor bonds in membrane adhesion | |
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D. Schmidt, T. Bihr, U. Seifert, A.S. Smith, EPL 99 (2012) 38003 |
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| http://dx.doi.org/10.1209/0295-5075/99/38003 | ||
| 34 | All good things come in threes-Three beads learn to swim with lattice Boltzmann and a rigid body solver | |
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K. Pickl, J. Gotz, K. Iglberger, J. Pande, K. Mecke, A.S. Smith, U. Rude, J. Comput. Sci. 3 (2012) 374-387 |
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| http://dx.doi.org/10.1016/j.jocs.2012.04.009 | ||
| 33 | Nucleation of Ligand-Receptor Domains in Membrane Adhesion | |
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T. Bihr, U. Seifert, A.S. Smith, Phys. Rev. Lett. 109 (2012) 258101 |
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| http://dx.doi.org/10.1103/PhysRevLett.109.258101 | ||
| 32 | The Elusive 5'-Deoxyadenosyl Radical in Coenzyme-B-12-Mediated Reactions | |
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D. Bucher, G.M. Sandala, B. Durbeej, L. Radom, D.M. Smith, J. Am. Chem. Soc. 134 (2012) 1591-1599 |
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| http://dx.doi.org/10.1021/ja207809b | ||
| 31 | The Protonation States of the Active-Site Histidines in (6-4) Photolyase | |
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K. Condic-Jurkic, A.S. Smith, H. Zipse, D.M. Smith, J. Chem. Theory Comput. 8 (2012) 1078-1091 |
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| http://dx.doi.org/10.1021/ct2005648 | ||
| 30 | Calculation of the CD Spectrum of a Peptide from Its Conformational Phase Space: The Case of Met-enkephalin and Its Unnatural Analogue | |
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Z. Brkljaca, K. Condic-Jurkic, A.S. Smith, D.M. Smith, J. Chem. Theory Comput. 8 (2012) 1694-1705 |
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| http://dx.doi.org/10.1021/ct200868y | ||
| 29 | Quasiclassical trajectory calculations of hydrogen absorption in the (NaAlH4)(2)Ti system on a model analytical potential energy surface | |
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I. Ljubic, D.C. Clary, Phys. Chem. Chem. Phys. 14 (2012) 3915-3921 |
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| http://dx.doi.org/10.1039/c2cp23689c | ||
| 28 | Advances in Determining the Absolute Proton Affinities of Neutral Organic Molecules in the Gas Phase and Their Interpretation: A Theoretical Account | |
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Z.B. Maksic, B. Kovacevic, R. Vianello, Chem. Rev. 112 (2012) 5240-5270 |
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| http://dx.doi.org/10.1021/cr100458v | ||
| 27 | Very Efficient Generation of Quinone Methides through Excited State Intramolecular Proton Transfer to a Carbon Atom | |
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N. Basaric, N. Doslic, J. Ivkovic, Y.H. Wang, M. Malis, P. Wan, Chem.-Eur. J. 18 (2012) 10617-10623 |
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| http://dx.doi.org/10.1002/chem.201201144 | ||
| 26 | One catalyst for both enantiomers: uncovering the inversion of enantioselectivity in cinchona-mediated desymmetrization of glutaric meso-anhydrides | |
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T. Ivsic, J. Novak, N. Doslic, Z. Hamersak, Tetrahedron 68 (2012) 8311-8317 |
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| http://dx.doi.org/10.1016/j.tet.2012.07.035 | ||
| 25 | Photoinduced Dynamics of Formic Acid Monomers and Dimers: The Role of the Double Hydrogen Bond | |
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J. Novak, M. Malis, A. Prlj, I. Ljubic, O. Kuhn, N. Doslic, J. Phys. Chem. A 116 (2012) 11467-11475 |
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| http://dx.doi.org/10.1021/jp3074865 | ||
| 24 | Unraveling the Mechanisms of Nonradiative Deactivation in Model Peptides Following Photoexcitation of a Phenylalanine Residue | |
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M. Malis, Y. Loquais, E. Gloaguen, H.S. Biswal, F. Piuzzi, B. Tardivel, V. Brenner, M. Broquier, C. Jouvet, M. Mons, N. Doslic, I. Ljubic, J. Am. Chem. Soc. 134 (2012) 20340-20351 |
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| http://dx.doi.org/10.1021/ja3054942 | ||