Journal of Computational Chemistry

Cover image for Journal of Computational Chemistry

December 2004

Volume 25, Issue 16

Pages 1937–2079

    1. An efficient hybrid explicit/implicit solvent method for biomolecular simulations (pages 1967–1978)

      Michael S. Lee, Freddie R. Salsbury Jr. and Mark A. Olson

      Version of Record online: 6 OCT 2004 | DOI: 10.1002/jcc.20119

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    2. Scalable fine-grained parallelization of plane-wave–based ab initio molecular dynamics for large supercomputers (pages 2006–2022)

      Ramkumar V. Vadali, Yan Shi, Sameer Kumar, Laxmikant V. Kale, Mark E. Tuckerman and Glenn J. Martyna

      Version of Record online: 7 OCT 2004 | DOI: 10.1002/jcc.20113

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    3. Ribonucleotide activation by enzyme ribonucleotide reductase: Understanding the role of the enzyme (pages 2031–2037)

      Nuno M. F. S. A. Cerqueira, Pedro Alexandrino Fernandes, Leif A. Eriksson and Maria João Ramos

      Version of Record online: 12 OCT 2004 | DOI: 10.1002/jcc.20127

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    4. Constant pH molecular dynamics in generalized Born implicit solvent (pages 2038–2048)

      John Mongan, David A. Case and J. Andrew McCammon

      Version of Record online: 12 OCT 2004 | DOI: 10.1002/jcc.20139

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    5. Prediction of physicochemical properties of organic molecules using van der Waals surface electrostatic potentials (pages 2073–2079)

      Chan Kyung Kim, Kyung A Lee, Kwan Hoon Hyun, Heung Jin Park, In Young Kwack, Chang Kon Kim, Hai Whang Lee and Bon-Su Lee

      Version of Record online: 13 OCT 2004 | DOI: 10.1002/jcc.20129

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