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Journal of Computational Chemistry

Copyright © 2012 Wiley Periodicals, Inc., A Wiley Company

Cover image for Journal of Computational Chemistry

February 1999

Volume 20, Issue 3

Pages 287–382

    1. Harmonic modes as variables to approximately account for receptor flexibility in ligand–receptor docking simulations: Application to DNA minor groove ligand complex (pages 287–300)

      Martin Zacharias and Heinz Sklenar

      Article first published online: 12 JAN 1999 | DOI: 10.1002/(SICI)1096-987X(199902)20:3<287::AID-JCC1>3.0.CO;2-H

    2. Treatment of reactions in solutions with isodensity surfaces (pages 301–304)

      Karl Jug, Christian Kölle and Frank Neumann

      Article first published online: 12 JAN 1999 | DOI: 10.1002/(SICI)1096-987X(199902)20:3<301::AID-JCC2>3.0.CO;2-0

    3. General method for symmetry orbitals and tensors in electronic structure calculations (pages 305–321)

      Taijin Zhou and Yirong Mo

      Article first published online: 12 JAN 1999 | DOI: 10.1002/(SICI)1096-987X(199902)20:3<305::AID-JCC3>3.0.CO;2-M

    4. Implicit solvent models: Combining an analytical formulation of continuum electrostatics with simple models of the hydrophobic effect (pages 322–335)

      François Wagner and Thomas Simonson

      Article first published online: 12 JAN 1999 | DOI: 10.1002/(SICI)1096-987X(199902)20:3<322::AID-JCC4>3.0.CO;2-Q

    5. Mapping of proteinase active sites by projection of surface-derived correlation vectors (pages 336–347)

      Martin Stahl, Daniel Bur and Gisbert Schneider

      Article first published online: 12 JAN 1999 | DOI: 10.1002/(SICI)1096-987X(199902)20:3<336::AID-JCC5>3.0.CO;2-A

    6. Loop entanglement of semicrystalline polyethylene in amorphous region: Diamond lattice approach (pages 348–353)

      Zhong-Hui Duan and Louis N. Howard

      Article first published online: 12 JAN 1999 | DOI: 10.1002/(SICI)1096-987X(199902)20:3<348::AID-JCC6>3.0.CO;2-0

    7. Performance of efficient minimization algorithms as applied to models of peptides and proteins (pages 354–364)

      C. Baysal, H. Meirovitch and I. M. Navon

      Article first published online: 12 JAN 1999 | DOI: 10.1002/(SICI)1096-987X(199902)20:3<354::AID-JCC7>3.0.CO;2-8

    8. Comprehensive ab initio quantum mechanical and molecular orbital (MO) analysis of cisplatin: Structure, bonding, charge density, and vibrational frequencies (pages 365–382)

      P. N. V. Pavankumar, P. Seetharamulu, S. Yao, Jeffrey D. Saxe, Dasharatha G. Reddy and Frederick H. Hausheer

      Article first published online: 12 JAN 1999 | DOI: 10.1002/(SICI)1096-987X(199902)20:3<365::AID-JCC8>3.0.CO;2-1

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