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There are 47302 results for: content related to: Decision Sciences Research in China: Current Status, Opportunities, and Propositions for Research in Supply Chain Management, Logistics, and Quality Management *

  1. QM/MM Methods for Biomolecular Systems

    Angewandte Chemie International Edition

    Volume 48, Issue 7, February 2, 2009, Pages: 1198–1229, Hans Martin Senn and Walter Thiel

    Article first published online : 28 JAN 2009, DOI: 10.1002/anie.200802019

  2. Pooling Data Across Transparently Different Groups of Key Informants: Measurement Equivalence and Survey Research

    Decision Sciences

    Volume 39, Issue 1, February 2008, Pages: 115–145, M. Rungtusanatham, C. H. Ng, X. Zhao and T. S. Lee

    Article first published online : 28 MAR 2008, DOI: 10.1111/j.1540-5915.2008.00184.x

  3. You have full text access to this OnlineOpen article
    The adaptive buffered force QM/MM method in the CP2K and AMBER software packages

    Journal of Computational Chemistry

    Volume 36, Issue 9, April 5, 2015, Pages: 633–648, Letif Mones, Andrew Jones, Andreas W. Götz, Teodoro Laino, Ross C. Walker, Ben Leimkuhler, Gábor Csányi and Noam Bernstein

    Article first published online : 3 FEB 2015, DOI: 10.1002/jcc.23839

  4. Contributions of pauli repulsions to the energetics and physical properties computed in QM/MM methods

    Journal of Computational Chemistry

    Volume 34, Issue 27, 15 October 2013, Pages: 2380–2388, Yingdi Jin, Erin R. Johnson, Xiangqian Hu, Weitao Yang and Hao Hu

    Article first published online : 6 AUG 2013, DOI: 10.1002/jcc.23401

  5. Comparison of linear-scaling semiempirical methods and combined quantum mechanical/molecular mechanical methods for enzymic reactions. II. An energy decomposition analysis

    Journal of Computational Chemistry

    Volume 23, Issue 14, 15 November 2002, Pages: 1314–1322, Stephen J. Titmuss, Peter L. Cummins, Alistair P. Rendell, Andrey A. Bliznyuk and Jill E. Gready

    Article first published online : 13 AUG 2002, DOI: 10.1002/jcc.10122

  6. Toward a new approach for determination of solute's charge distribution to analyze interatomic electrostatic interactions in quantum mechanical/molecular mechanical simulations

    Journal of Computational Chemistry

    Volume 32, Issue 14, 15 November 2011, Pages: 3092–3104, Kenta Yamada, Yoshiyuki Koyano, Takuya Okamoto, Toshio Asada, Nobuaki Koga and Masataka Nagaoka

    Article first published online : 3 AUG 2011, DOI: 10.1002/jcc.21893

  7. QM/MM through the 1990s: The First Twenty Years of Method Development and Applications

    Israel Journal of Chemistry

    Volume 54, Issue 8-9, August 2014, Pages: 1250–1263, Meiyi Liu, Yingjie Wang, Yakun Chen, Martin J. Field and Jiali Gao

    Article first published online : 31 JUL 2014, DOI: 10.1002/ijch.201400036

  8. A mixed quantum mechanics/molecular mechanics (QM/MM) method for large-scale modeling of chemistry in protein environments

    Journal of Computational Chemistry

    Volume 21, Issue 16, December 2000, Pages: 1442–1457, R. B. Murphy, D. M. Philipp and R. A. Friesner

    Article first published online : 14 NOV 2000, DOI: 10.1002/1096-987X(200012)21:16<1442::AID-JCC3>3.0.CO;2-O

  9. You have free access to this content


    Volume 50, Issue 4, July 2007, Pages: 811–828, PHILIPPA BREWER, MICHAEL ARCHER, SUZANNE HAND and HENK GODTHELP

    Article first published online : 17 JUL 2007, DOI: 10.1111/j.1475-4983.2007.00678.x

  10. Operational Capabilities: The Secret Ingredient

    Decision Sciences

    Volume 41, Issue 4, November 2010, Pages: 721–754, Sarah Jinhui Wu, Steven A. Melnyk and Barbara B. Flynn

    Article first published online : 24 NOV 2010, DOI: 10.1111/j.1540-5915.2010.00294.x

  11. An extensible interface for QM/MM molecular dynamics simulations with AMBER

    Journal of Computational Chemistry

    Volume 35, Issue 2, 15 January 2014, Pages: 95–108, Andreas W. Götz, Matthew A. Clark and Ross C. Walker

    Article first published online : 9 OCT 2013, DOI: 10.1002/jcc.23444

  12. The implementation of a fast and accurate QM/MM potential method in Amber

    Journal of Computational Chemistry

    Volume 29, Issue 7, May 2008, Pages: 1019–1031, Ross C. Walker, Michael F. Crowley and David A. Case

    Article first published online : 10 DEC 2007, DOI: 10.1002/jcc.20857

  13. QM/QM docking method based on the variational finite localized molecular orbital approximation

    Journal of Computational Chemistry

    Volume 30, Issue 5, 15 April 2009, Pages: 784–798, Victor M. Anisimov and Vladislav L. Bugaenko

    Article first published online : 26 AUG 2008, DOI: 10.1002/jcc.21100

  14. Convergence in the QM-only and QM/MM modeling of enzymatic reactions: A case study for acetylene hydratase

    Journal of Computational Chemistry

    Volume 34, Issue 27, 15 October 2013, Pages: 2389–2397, Rong-Zhen Liao and Walter Thiel

    Article first published online : 1 AUG 2013, DOI: 10.1002/jcc.23403

  15. LICHEM: A QM/MM program for simulations with multipolar and polarizable force fields

    Journal of Computational Chemistry

    Eric G. Kratz, Alice R. Walker, Louis Lagardère, Filippo Lipparini, Jean-Philip Piquemal and G. Andrés Cisneros

    Article first published online : 18 JAN 2016, DOI: 10.1002/jcc.24295

  16. The biology and use of zebrafish, Brachydanio rerio in fisheries research.

    Journal of Fish Biology

    Volume 10, Issue 2, February 1977, Pages: 121–173, Hans W. Laale

    Article first published online : 24 JAN 2006, DOI: 10.1111/j.1095-8649.1977.tb04049.x

  17. The ONIOM method: its foundation and applications to metalloenzymes and photobiology

    Wiley Interdisciplinary Reviews: Computational Molecular Science

    Volume 2, Issue 2, March/April 2012, Pages: 327–350, Lung Wa Chung, Hajime Hirao, Xin Li and Keiji Morokuma

    Article first published online : 13 JUL 2011, DOI: 10.1002/wcms.85

  18. Graphic Representations of Processing Structure: The Time-Event Matrix

    Journal of Applied Social Psychology

    Volume 27, Issue 23, December 1997, Pages: 2122–2148, Siegfried Streufert and Usha Satish

    Article first published online : 31 JUL 2006, DOI: 10.1111/j.1559-1816.1997.tb01644.x

  19. Quantum Mechanics/Molecular Mechanics Modeling of Enzymatic Processes: Caveats and Breakthroughs

    Chemistry - A European Journal

    Dr. Matthew G. Quesne, Dr. Tomasz Borowski and Dr. Sam P. de Visser

    Article first published online : 23 DEC 2015, DOI: 10.1002/chem.201503802

  20. A review of the application of molecular genetics for fisheries management and conservation of sharks and rays

    Journal of Fish Biology

    Volume 80, Issue 5, April 2012, Pages: 1789–1843, C. L. Dudgeon, D. C. Blower, D. Broderick, J. L. Giles, B. J. Holmes, T. Kashiwagi, N. C. Krück, J. A. T. Morgan, B. J. Tillett and J. R. Ovenden

    Article first published online : 12 APR 2012, DOI: 10.1111/j.1095-8649.2012.03265.x

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    Vol. 80, Issue 7, 2649, Article first published online: 1 JUN 2012