Journal of Computational Chemistry

Cover image for Vol. 32 Issue 4

March 2011

Volume 32, Issue 4

Pages 555–770

    1. VoteDock: Consensus docking method for prediction of protein–ligand interactions (pages 568–581)

      Dariusz Plewczynski, Michał Łażniewski, Marcin Von Grotthuss, Leszek Rychlewski and Krzysztof Ginalski

      Version of Record online: 1 SEP 2010 | DOI: 10.1002/jcc.21642

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    2. Rapid estimation of activation enthalpies for cytochrome-P450-mediated hydroxylations (pages 639–657)

      Arthur N. Mayeno, Jonathan L. Robinson and Brad Reisfeld

      Version of Record online: 5 OCT 2010 | DOI: 10.1002/jcc.21649

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    3. Thermochemical stabilities, electronic structures, and optical properties of C56X10 (X = H, F, and Cl) fullerene compounds (pages 658–667)

      Shu-Wei Tang, Jing-Dong Feng, Yong-Qing Qiu, Hao Sun, Feng-Di Wang, Zhong-Min Su, Ying-Fei Chang and Rong-Shun Wang

      Version of Record online: 15 SEP 2010 | DOI: 10.1002/jcc.21650

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    4. A TD-DFT study on the cyanide-chemosensing mechanism of 8-formyl-7-hydroxycoumarin (pages 668–674)

      Guang-Yue Li, Guang-Jiu Zhao, Ke-Li Han and Guo-Zhong He

      Version of Record online: 15 SEP 2010 | DOI: 10.1002/jcc.21651

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    5. Similarity analysis of DNA sequences based on the weighted pseudo-entropy (pages 675–680)

      Chun Li, Hong Ma, Yang Zhou, Xiaolei Wang and Xiaoqi Zheng

      Version of Record online: 1 OCT 2010 | DOI: 10.1002/jcc.21656

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    6. Steric effects on alkyl cation affinities of maingroup-element hydrides (pages 681–688)

      Juan M. Ruiz, R. Joshua Mulder, Célia Fonseca Guerra and F. Matthias Bickelhaupt

      Version of Record online: 29 SEP 2010 | DOI: 10.1002/jcc.21673

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    7. Transport properties of graphene nanoribbon-based molecular devices (pages 737–741)

      Zongling Ding, Jun Jiang, Huaizhong Xing, Haibo Shu, Ruibin Dong, Xiaoshuang Chen and Wei Lu

      Version of Record online: 5 OCT 2010 | DOI: 10.1002/jcc.21676

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  1. Reviews

    1. Top of page
    2. Reviews
    3. Software News and Updates
    1. Can we trust docking results? Evaluation of seven commonly used programs on PDBbind database (pages 742–755)

      Dariusz Plewczynski, Michał Łaźniewski, Rafał Augustyniak and Krzysztof Ginalski

      Version of Record online: 1 SEP 2010 | DOI: 10.1002/jcc.21643

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  2. Software News and Updates

    1. Top of page
    2. Reviews
    3. Software News and Updates
    1. You have free access to this content
      MIBPB: A software package for electrostatic analysis (pages 756–770)

      Duan Chen, Zhan Chen, Changjun Chen, Weihua Geng and Guo-Wei Wei

      Version of Record online: 15 SEP 2010 | DOI: 10.1002/jcc.21646

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