Journal of Computational Chemistry

Cover image for Journal of Computational Chemistry

November 1995

Volume 16, Issue 11

Pages fmi–fmi, 1315–1447

  1. Masthead

    1. Top of page
    2. Masthead
    3. Articles
    4. Erratum
    5. Announcement
    1. Masthead (page fmi)

      Article first published online: 7 SEP 2004 | DOI: 10.1002/jcc.540161101

  2. Articles

    1. Top of page
    2. Masthead
    3. Articles
    4. Erratum
    5. Announcement
    1. Density functional theory and molecular clusters (pages 1315–1325)

      Pavel Hobza, Jiří šponer and Tomáš Reschel

      Article first published online: 7 SEP 2004 | DOI: 10.1002/jcc.540161102

    2. Analysis of the updated Hessian matrices for locating transition structures (pages 1326–1338)

      Josep Maria Bofill and Móanica Comajuan

      Article first published online: 7 SEP 2004 | DOI: 10.1002/jcc.540161103

    3. Multidimensional free-energy calculations using the weighted histogram analysis method (pages 1339–1350)

      Shankar Kumar, John M. Rosenberg, Djamal Bouzida, Robert H. Swendsen and Peter A. Kollman

      Article first published online: 7 SEP 2004 | DOI: 10.1002/jcc.540161104

    4. Gradient SHAKE: An improved method for constrained energy minimization in macromolecular simulations (pages 1351–1356)

      Yong Duan, Shankar Kumar, John M. Rosenberg and Peter A. Kollman

      Article first published online: 7 SEP 2004 | DOI: 10.1002/jcc.540161105

    5. Application of the multimolecule and multiconformational RESP methodology to biopolymers: Charge derivation for DNA, RNA, and proteins (pages 1357–1377)

      Piotr Cieplak, Wendy D. Cornell, Christopher Bayly and Peter A. Kollman

      Article first published online: 7 SEP 2004 | DOI: 10.1002/jcc.540161106

    6. Docking flexible molecules: A case study of three proteins (pages 1405–1419)

      R. S. Judson, Y. T. Tan, E. Mori, C. Melius, E. P. Jaeger, A. M. Treasurywala and A. Mathiowetz

      Article first published online: 7 SEP 2004 | DOI: 10.1002/jcc.540161109

    7. Energy minimization of peptide analogues using genetic algorithms (pages 1434–1444)

      Frank Herrmann and Sándor Suhai

      Article first published online: 7 SEP 2004 | DOI: 10.1002/jcc.540161112

  3. Erratum

    1. Top of page
    2. Masthead
    3. Articles
    4. Erratum
    5. Announcement
    1. You have free access to this content
      Implementation of reaction field methods in quantum chemistry computer codes (pages 1445–1446)

      A. H. De Vries, P. Th. Van Duijnen, A. H. Juffer, J. A. C. Rullmann, J. P. Dijkman, H. Merenga and B. T. Thole

      Article first published online: 7 SEP 2004 | DOI: 10.1002/jcc.540161113

  4. Announcement

    1. Top of page
    2. Masthead
    3. Articles
    4. Erratum
    5. Announcement
    1. Announcement (page 1447)

      Article first published online: 7 SEP 2004 | DOI: 10.1002/jcc.540161114

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