Journal of Computational Chemistry

Cover image for Journal of Computational Chemistry

15 April 2010

Volume 31, Issue 5

Pages 897–1116

    1. 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

      Article first published online: 7 OCT 2009 | DOI: 10.1002/jcc.21386

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

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

      Article first published online: 21 DEC 2009 | DOI: 10.1002/jcc.21387

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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

      Article first published online: 12 OCT 2009 | DOI: 10.1002/jcc.21388

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