Journal of Computational Chemistry

Cover image for Journal of Computational Chemistry

February 2005

Volume 26, Issue 3

Pages 201–324

    1. Simulations of the active transport of a neutral solute based on a kinase-channel-phosphatase topology (pages 201–213)

      K. Fiaty, C. Charcosset, B. Perrin, R. Couturier and B. Maïsterrena

      Version of Record online: 14 DEC 2004 | DOI: 10.1002/jcc.20160

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    2. Registering the Amica electronic structure code in the Extensible Computational Chemistry Environment (pages 214–225)

      Robert J. Gdanitz, Gary D. Black, Carina S. Lansing, Bruce J. Palmer and Karen L. Schuchardt

      Version of Record online: 14 DEC 2004 | DOI: 10.1002/jcc.20152

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    3. Method for computing protein binding affinity (pages 243–251)

      Charles F. F. Karney, Jason E. Ferrara and Stephan Brunner

      Version of Record online: 21 DEC 2004 | DOI: 10.1002/jcc.20167

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    4. OOPSE: An object-oriented parallel simulation engine for molecular dynamics (pages 252–271)

      Matthew A. Meineke, Charles F. Vardeman II, Teng Lin, Christopher J. Fennell and J. Daniel Gezelter

      Version of Record online: 21 DEC 2004 | DOI: 10.1002/jcc.20161

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    5. Ab initio crystal structure prediction—I. Rigid molecules (pages 304–324)

      Panagiotis G. Karamertzanis and Constantinos C. Pantelides

      Version of Record online: 27 DEC 2004 | DOI: 10.1002/jcc.20165

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