Journal of Computational Chemistry

Cover image for Journal of Computational Chemistry

December 2003

Volume 24, Issue 16

Pages 1963–2100

    1. Inclusion of the ligand field contribution in a polarizable molecular mechanics: SIBFA-LF (pages 1963–1970)

      Jean-Philip Piquemal, Ben Williams-Hubbard, Natalie Fey, Robert J. Deeth, Nohad Gresh and Claude Giessner-Prettre

      Article first published online: 23 SEP 2003 | DOI: 10.1002/jcc.10354

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    2. A point-charge force field for molecular mechanics simulations of proteins based on condensed-phase quantum mechanical calculations (pages 1999–2012)

      Yong Duan, Chun Wu, Shibasish Chowdhury, Mathew C. Lee, Guoming Xiong, Wei Zhang, Rong Yang, Piotr Cieplak, Ray Luo, Taisung Lee, James Caldwell, Junmei Wang and Peter Kollman

      Article first published online: 25 SEP 2003 | DOI: 10.1002/jcc.10349

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    3. Computing motif correlations in proteins (pages 2032–2043)

      Jorng-Tzong Horng, Hsien-Da Huang, Shih-Hsien Wang, Ming-You Chen, Shir-Ly Huang and Jenn-Kang Hwang

      Article first published online: 30 SEP 2003 | DOI: 10.1002/jcc.10332

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