Journal of Computational Chemistry

Cover image for Journal of Computational Chemistry

Special Issue: Special Issue in Honor of Dr. Peter A. Kollman

15 January 2003

Volume 24, Issue 1

Pages 1–128

Issue edited by: Gernot Frenking, William L. Jorgensen

    1. Motifs in nucleic acids: Molecular mechanics restraints for base pairing and base stacking (pages 1–9)

      Stephen C. Harvey, Chunlin Wang, Stephane Teletchea and Richard Lavery

      Version of Record online: 25 NOV 2002 | DOI: 10.1002/jcc.10173

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    2. Conformational analysis by intersection: CONAN (pages 10–20)

      Andrew Smellie, Robert Stanton, Randy Henne and Steve Teig

      Version of Record online: 25 NOV 2002 | DOI: 10.1002/jcc.10175

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    3. Using PC clusters to evaluate the transferability of molecular mechanics force fields for proteins (pages 21–31)

      Asim Okur, Bentley Strockbine, Viktor Hornak and Carlos Simmerling

      Version of Record online: 25 NOV 2002 | DOI: 10.1002/jcc.10184

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    4. Transferability of fragmental contributions to the octanol/water partition coefficient: An NDDO-based MST study (pages 32–45)

      C. Curutchet, A. Salichs, X. Barril, Modesto Orozco and F. Javier Luque

      Version of Record online: 3 DEC 2002 | DOI: 10.1002/jcc.10155

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    5. Fast approximate methods for calculating nucleic acid base pair interaction energies (pages 57–67)

      Edward C. Sherer, Darrin M. York and Christopher J. Cramer

      Version of Record online: 3 DEC 2002 | DOI: 10.1002/jcc.10150

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    6. Cool walking: A new Markov chain Monte Carlo sampling method (pages 68–76)

      Scott Brown and Teresa Head-Gordon

      Version of Record online: 3 DEC 2002 | DOI: 10.1002/jcc.10181

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    7. Inherent speedup limitations in multiple time step/particle mesh Ewald algorithms (pages 77–88)

      Danny Barash, Linjing Yang, Xiaoliang Qian and Tamar Schlick

      Version of Record online: 6 DEC 2002 | DOI: 10.1002/jcc.10196

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    8. MOPED: Method for optimizing physical energy parameters using decoys (pages 89–97)

      Chaok Seok, J. B. Rosen, John D. Chodera and Ken A. Dill

      Version of Record online: 6 DEC 2002 | DOI: 10.1002/jcc.10124

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    9. Molecular mechanics force-field development for amino acid zwitterions (pages 111–128)

      K. N. Kirschner, A. H. Lewin and J. P. Bowen

      Version of Record online: 6 DEC 2002 | DOI: 10.1002/jcc.10174

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