Journal of Computational Chemistry

Cover image for Journal of Computational Chemistry

15 January 2008

Volume 29, Issue 1

Pages 1–155

    1. Reply to “Comment on Aromatic-Backbone Interactions in Model α-Helical Peptides” (pages 4–7)

      József Csontos, Nicholas Y. Palermo, Richard F. Murphy and Sándor Lovas

      Article first published online: 13 NOV 2007 | DOI: 10.1002/jcc.20868

    2. Manager–worker-based model for the parallelization of quantum Monte Carlo on heterogeneous and homogeneous networks (pages 8–16)

      Michael T. Feldmann, Julian C. Cummings, David R. Kent IV, Richard P. Muller and William A. Goddard III

      Article first published online: 5 OCT 2007 | DOI: 10.1002/jcc.20836

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    3. Molecular mechanics parameters for the FapydG DNA lesion (pages 17–23)

      Kun Song, Viktor Hornak, Carlos De Los Santos, Arthur P. Grollman and Carlos Simmerling

      Article first published online: 5 JUN 2007 | DOI: 10.1002/jcc.20625

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    4. Parameterization of azole-bridged dinuclear platinum anticancer drugs via a QM/MM force matching procedure (pages 38–49)

      Katrin Spiegel, Alessandra Magistrato, Patrick Maurer, Paolo Ruggerone, Ursula Rothlisberger, Paolo Carloni, Jan Reedijk and Michael L. Klein

      Article first published online: 17 AUG 2007 | DOI: 10.1002/jcc.20739

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    5. Stochastic simulation of physicochemical processes performance over supported metal nanoparticles (pages 79–86)

      Evgenii V. Kovalyov, Vladimir I. Elokhin and Aleksandr V. Myshlyavtsev

      Article first published online: 21 MAY 2007 | DOI: 10.1002/jcc.20766

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    6. Shapelets: Possibilities and limitations of shape-based virtual screening (pages 108–114)

      Ewgenij Proschak, Matthias Rupp, Swetlana Derksen and Gisbert Schneider

      Article first published online: 21 MAY 2007 | DOI: 10.1002/jcc.20770

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    7. New all-atom force field for molecular dynamics simulation of an AlPO4-34 molecular sieve (pages 122–129)

      Matej Praprotnik, Stanko Hočevar, Milan Hodošček, Matej Penca and Dušanka Janežič

      Article first published online: 1 JUN 2007 | DOI: 10.1002/jcc.20774

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      Complete maps of molecular-loop conformational spaces (pages 144–155)

      Josep M. Porta, Lluís Ros, Federico Thomas, Francesc Corcho, Josep Cantó and Juan Jesús Pérez

      Article first published online: 18 OCT 2007 | DOI: 10.1002/jcc.20863

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