Journal of Computational Chemistry

Cover image for Journal of Computational Chemistry

May 2005

Volume 26, Issue 7

Pages 651–754

    1. Estimation of the absolute internal-rotation entropy of molecules with two torsional degrees of freedom from stochastic simulations (pages 651–660)

      Eva Darian, Vladimir Hnizdo, Adam Fedorowicz, Harshinder Singh and Eugene Demchuk

      Version of Record online: 4 MAR 2005 | DOI: 10.1002/jcc.20198

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    2. Relative contributions of desolvation, inter- and intramolecular interactions to binding affinity in protein kinase systems (pages 668–681)

      Peter A. Sims, Chung F. Wong, Danka Vuga, J. Andrew McCammon and Bartholomew M. Sefton

      Version of Record online: 8 MAR 2005 | DOI: 10.1002/jcc.20207

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    3. A simple method for faster nonbonded force evaluations (pages 691–698)

      Min-Yi Shen and Karl F. Freed

      Version of Record online: 8 MAR 2005 | DOI: 10.1002/jcc.20211

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    4. A sparse algorithm for the evaluation of the local energy in quantum Monte Carlo (pages 708–715)

      Alán Aspuru-Guzik, Romelia Salomón-Ferrer, Brian Austin and William A. Lester Jr.

      Version of Record online: 10 MAR 2005 | DOI: 10.1002/jcc.20205

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    5. Development of a force field for Li2SiF6 (pages 716–724)

      Anti Liivat, Alvo Aabloo and John O. Thomas

      Version of Record online: 10 MAR 2005 | DOI: 10.1002/jcc.20209

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    6. An improved nucleic acid parameter set for the GROMOS force field (pages 725–737)

      Thereza A. Soares, Philippe H. Hünenberger, Mika A. Kastenholz, Vincent Kräutler, Thomas Lenz, Roberto D. Lins, Chris Oostenbrink and Wilfred F. van Gunsteren

      Version of Record online: 15 MAR 2005 | DOI: 10.1002/jcc.20193

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    7. New parallel software (P_Anhar) for anharmonic vibrational calculations: Application to (CH3Li)2 (pages 743–754)

      Neil Gohaud, Didier Begue, Clovis Darrigan and Claude Pouchan

      Version of Record online: 22 MAR 2005 | DOI: 10.1002/jcc.20204

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