Journal of Computational Chemistry

Cover image for Journal of Computational Chemistry

15 July 2000

Volume 21, Issue 9

Pages 705–811

    1. Solvent effects by means of averaged solvent electrostatic potentials: Coupled method (pages 705–715)

      M. L. Sánchez, M. E. Martín, M. A. Aguilar and F. J. Olivares del Valle

      Version of Record online: 4 MAY 2000 | DOI: 10.1002/(SICI)1096-987X(20000715)21:9<705::AID-JCC1>3.0.CO;2-O

    2. DFT and MP2 molecular orbital determination of OH–toluene–O2 isomeric structures in the atmospheric oxidation of toluene (pages 716–730)

      Isidoro García–Cruz, Miguel Castro and Annik Vivier–Bunge

      Version of Record online: 4 MAY 2000 | DOI: 10.1002/(SICI)1096-987X(20000715)21:9<716::AID-JCC2>3.0.CO;2-H

    3. A randomized kinematics-based approach to pharmacophore-constrained conformational search and database screening (pages 731–747)

      Steven M. LaValle, Paul W. Finn, Lydia E. Kavraki and Jean-Claude Latombe

      Version of Record online: 4 MAY 2000 | DOI: 10.1002/(SICI)1096-987X(20000715)21:9<731::AID-JCC3>3.0.CO;2-R

    4. Peptide free-energy profile is strongly dependent on the force field: Comparison of C96 and AMBER95 (pages 748–762)

      Satoshi Ono, Nobuyuki Nakajima, Junichi Higo and Haruki Nakamura

      Version of Record online: 4 MAY 2000 | DOI: 10.1002/(SICI)1096-987X(20000715)21:9<748::AID-JCC4>3.0.CO;2-2

    5. Improved treatment of cyclic β-amino acids and successful prediction of β-peptide secondary structure using a modified force field: AMBER*C (pages 763–773)

      Laurie A. Christianson, Melissa J. Lucero, Daniel H. Appella, Daniel A. Klein and Samuel H. Gellman

      Version of Record online: 4 MAY 2000 | DOI: 10.1002/(SICI)1096-987X(20000715)21:9<763::AID-JCC5>3.0.CO;2-C

    6. Reversible peptide folding: Dependence on molecular force field used (pages 774–787)

      Wolfgang Damm and Wilfred F. van Gunsteren

      Version of Record online: 4 MAY 2000 | DOI: 10.1002/(SICI)1096-987X(20000715)21:9<774::AID-JCC6>3.0.CO;2-5

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