Journal of Computational Chemistry

Cover image for Journal of Computational Chemistry

August 2008

Volume 29, Issue 11

Pages 1699–1865

    1. Basis set dependence of solute–solvent interaction energy of benzene in water: A HF/DFT study (pages 1725–1732)

      Laban Bondesson, Elias Rudberg, Yi Luo and Paweł Sałek

      Version of Record online: 28 FEB 2008 | DOI: 10.1002/jcc.20930

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      Corrected by:

      Erratum: Erratum: Basis set dependence of solute–solvent interaction energy of benzene in water: A HF/DFT study

      Vol. 33, Issue 3, 354, Version of Record online: 22 NOV 2011

    2. Empirical entropic contributions in computational docking: Evaluation in APS reductase complexes (pages 1753–1761)

      Max W. Chang, Richard K. Belew, Kate S. Carroll, Arthur J. Olson and David S. Goodsell

      Version of Record online: 19 MAR 2008 | DOI: 10.1002/jcc.20936

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    3. Theoretical studies on the carcinogenicity of polycyclic aromatic hydrocarbons (pages 1808–1817)

      K. Periya Vijayalakshmi and Cherumuttathu H. Suresh

      Version of Record online: 19 MAR 2008 | DOI: 10.1002/jcc.20939

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    4. Prediction of densities for solid energetic molecules with molecular surface electrostatic potentials (pages 1818–1824)

      Chan Kyung Kim, Soo Gyeong Cho, Chang Kon Kim, Hyung-Yeon Park, Hui Zhang and Hai Whang Lee

      Version of Record online: 19 MAR 2008 | DOI: 10.1002/jcc.20943

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    5. Role of structural water molecule in HIV protease-inhibitor complexes: A QM/MM study (pages 1840–1849)

      Cherumuttathu H. Suresh, Aswathy Mary Vargheese, K. Periya Vijayalakshmi, Neetha Mohan and Nobuaki Koga

      Version of Record online: 19 MAR 2008 | DOI: 10.1002/jcc.20961

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      CHARMM-GUI: A web-based graphical user interface for CHARMM (pages 1859–1865)

      Sunhwan Jo, Taehoon Kim, Vidyashankara G. Iyer and Wonpil Im

      Version of Record online: 19 MAR 2008 | DOI: 10.1002/jcc.20945

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