Journal of Computational Chemistry

Cover image for Journal of Computational Chemistry

15 April 2010

Volume 31, Issue 5

Pages 897–1116

    1. An efficient algorithm for multistate protein design based on FASTER (pages 904–916)

      Benjamin D. Allen and Stephen L. Mayo

      Version of Record online: 27 JUL 2009 | DOI: 10.1002/jcc.21375

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    2. A universal scale of aromaticity for π-organic compounds (pages 917–928)

      Mercedes Alonso and Bernardo Herradón

      Version of Record online: 27 JUL 2009 | DOI: 10.1002/jcc.21377

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    3. Comparative study of various normal mode analysis techniques based on partial Hessians (pages 994–1007)

      An Ghysels, Veronique Van Speybroeck, Ewald Pauwels, Saron Catak, Bernard R. Brooks, Dimitri Van Neck and Michel Waroquier

      Version of Record online: 7 OCT 2009 | DOI: 10.1002/jcc.21386

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    4. The QM-MM interface for CHARMM-deMon (pages 1015–1023)

      Bogdan Lev, Rui Zhang, Aurélien de la Lande, Dennis Salahub and Sergei Yu Noskov

      Version of Record online: 21 DEC 2009 | DOI: 10.1002/jcc.21387

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    5. A compound QM/MM procedure: Comparative performance on a pyruvate formate-lyase model system (pages 1024–1035)

      Karmen Condic-Jurkic, Hendrik Zipse and David M. Smith

      Version of Record online: 21 OCT 2009 | DOI: 10.1002/jcc.21389

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    6. Similarity/dissimilarity studies of protein sequences based on a new 2D graphical representation (pages 1045–1052)

      Yu-Hua Yao, Qi Dai, Ling Li, Xu-Ying Nan, Ping-An He and Yao-Zhou Zhang

      Version of Record online: 23 SEP 2009 | DOI: 10.1002/jcc.21391

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      ORAC: A molecular dynamics simulation program to explore free energy surfaces in biomolecular systems at the atomistic level (pages 1106–1116)

      Simone Marsili, Giorgio Federico Signorini, Riccardo Chelli, Massimo Marchi and Piero Procacci

      Version of Record online: 12 OCT 2009 | DOI: 10.1002/jcc.21388

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