International Journal of Quantum Chemistry

Cover image for International Journal of Quantum Chemistry

Special Issue: Proceedings of the 3rd Theoretical Biophysics Symposium

2008

Volume 108, Issue 11

Pages 1873–2040

Issue edited by: Leif A. Eriksson, Maria J. Ramos, Nino Russo, Jesus Ugalde

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      Introduction : Theoretical Biophysics Symposium, Cetraro, Italy, June 16–20, 2007 (page 1873)

      Nino Russo, Maria J. Ramos, Jesus M. Ugalde and Leif A. Eriksson

      Version of Record online: 8 MAY 2008 | DOI: 10.1002/qua.21776

    2. List of participants (pages 1874–1877)

      Version of Record online: 30 APR 2008 | DOI: 10.1002/qua.21704

    3. Simple formulas for improved point-charge electrostatics in classical force fields and hybrid quantum mechanical/molecular mechanical embedding (pages 1905–1912)

      G. A. Cisneros, S. Na-Im Tholander, O. Parisel, T. A. Darden, D. Elking, L. Perera and J.-P. Piquemal

      Version of Record online: 21 APR 2008 | DOI: 10.1002/qua.21675

    4. Baseline logical elements on the basis of DNA (pages 1913–1920)

      V. D. Lakhno and V. B. Sultanov

      Version of Record online: 30 APR 2008 | DOI: 10.1002/qua.21690

    5. Redox and debromination reactions of brominated hypericin (pages 1921–1929)

      Emma S. E. Eriksson, Rita C. Guedes and Leif A. Eriksson

      Version of Record online: 21 APR 2008 | DOI: 10.1002/qua.21689

    6. Molecular dynamics analysis of farnesyltransferase: A closer look into the amino acid behavior (pages 1939–1950)

      Sérgio F. Sousa, Pedro A. Fernandes and Maria João Ramos

      Version of Record online: 21 APR 2008 | DOI: 10.1002/qua.21713

    7. What can be learnt on biologically relevant systems from the topological analysis of the electron localization function? (pages 1951–1969)

      J.-P. Piquemal, J. Pilmé, O. Parisel, H. Gérard, I. Fourré, J. Bergès, C. Gourlaouen, A. De La Lande, M.-C. Van Severen and B. Silvi

      Version of Record online: 30 APR 2008 | DOI: 10.1002/qua.21711

    8. DNA nanobioelectronics (pages 1970–1981)

      V. D. Lakhno

      Version of Record online: 30 APR 2008 | DOI: 10.1002/qua.21717

    9. Computational optimization of AG18051 inhibitor for amyloid-β binding alcohol dehydrogenase enzyme (pages 1982–1991)

      Alexandra T. Marques, Agostinho Antunes, Pedro A. Fernandes and Maria J. Ramos

      Version of Record online: 21 APR 2008 | DOI: 10.1002/qua.21716

    10. The role of metals in amyloid aggregation—Experiments and ab initio simulations (pages 1992–2015)

      V. Minicozzi, S. Morante, G. C. Rossi, F. Stellato, N. Christian and K. Jansen

      Version of Record online: 6 MAY 2008 | DOI: 10.1002/qua.21724

    11. On the binding mode of urease active site inhibitors: A density functional study (pages 2023–2029)

      M. Leopoldini, T. Marino, N. Russo and M. Toscano

      Version of Record online: 8 MAY 2008 | DOI: 10.1002/qua.21758

    12. Carbohydrate-binding modules from family 11: Understanding the binding mode of polysaccharides (pages 2030–2040)

      N. F. Brás, N. M. F. S. A. Cerqueira, P. A. Fernandes and M. J. Ramos

      Version of Record online: 20 MAY 2008 | DOI: 10.1002/qua.21755

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