Journal of Computational Chemistry

Cover image for Journal of Computational Chemistry

December 2009

Volume 30, Issue 16

Pages 2583–2791

    1. Linear response theory in dihedral angle space for protein structural change upon ligand binding (pages 2602–2608)

      Satoshi Omori, Sotaro Fuchigami, Mitsunori Ikeguchi and Akinori Kidera

      Article first published online: 16 APR 2009 | DOI: 10.1002/jcc.21269

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    2. Roles of K151 and D180 in L-2-haloacid dehalogenase from Pseudomonas sp. YL: Analysis by molecular dynamics and ab initio fragment molecular orbital calculations (pages 2625–2634)

      Takashi Nakamura, Azusa Yamaguchi, Hirotaka Kondo, Hirofumi Watanabe, Tatsuo Kurihara, Nobuyoshi Esaki, Shuichi Hirono and Shigenori Tanaka

      Article first published online: 16 APR 2009 | DOI: 10.1002/jcc.21273

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    3. Comparative analysis of the performance of commonly available density functionals in the determination of geometrical parameters for zinc complexes (pages 2752–2763)

      Sérgio F. Sousa, Emanuela S. Carvalho, Diana M. Ferreira, Isabel S. Tavares, Pedro A. Fernandes, Maria João Ramos and JosÉ A. N. F. Gomes

      Article first published online: 27 APR 2009 | DOI: 10.1002/jcc.21304

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    4. Tuning aromaticity in trigonal alkaline earth metal clusters and their alkali metal salts (pages 2764–2776)

      J. Oscar C. JimÉnez-halla, Eduard Matito, LluÍs Blancafort, Juvencio Robles and Miquel Solà

      Article first published online: 30 APR 2009 | DOI: 10.1002/jcc.21291

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      Corrected by:

      Erratum: Erratum: Tuning aromaticity in trigonal alkaline earth metal clusters and their alkali metal salts

      Vol. 32, Issue 2, 372–373, Article first published online: 4 NOV 2010

  1. Book Reviews

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    2. Book Reviews
    3. Software News and Updates
    1. A chemist's guide to valence bond theory (page 2784)

      F. Matthias Bickelhaupt

      Article first published online: 20 APR 2009 | DOI: 10.1002/jcc.21242

  2. Software News and Updates

    1. Top of page
    2. Book Reviews
    3. Software News and Updates
    1. You have free access to this content
      AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibility (pages 2785–2791)

      Garrett M. Morris, Ruth Huey, William Lindstrom, Michel F. Sanner, Richard K. Belew, David S. Goodsell and Arthur J. Olson

      Article first published online: 27 APR 2009 | DOI: 10.1002/jcc.21256

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