Computational Methods for Macromolecules: Challenges and Applications

Proceedings of the 3rd International Workshop on Algorithms for Macromolecular Modeling, New York, October 12–14, 2000

  • Tamar Schlick
  • Hin Hark Gan

Part of the Lecture Notes in Computational Science and Engineering book series (LNCSE, volume 24)

Table of contents

  1. Front Matter
    Pages I-IX
  2. Introduction

    1. Front Matter
      Pages 1-1
  3. Biomolecular Dynamics Applications

    1. Front Matter
      Pages 29-29
    2. Nathan A. Baker, Kaihsu Tai, Richard Henchman, David Sept, Adrian Elcock, Michael Holst et al.
      Pages 31-60
    3. Pascal Auffinger, Benoit Masquida, Eric Westhof
      Pages 61-70
  4. Molecular Dynamics Methods

    1. Front Matter
      Pages 71-71
    2. Eric Barth, Benedict Leimkuhler, Sebastian Reich
      Pages 73-103
    3. Sang-Ho Lee, Kim Palmo, Samuel Krimm
      Pages 104-128
    4. Geoff Mann, R. H. Yun, Lars Nyland, Jan Prins, John Board, Jan Hermans
      Pages 129-145
    5. Jesús A. Izaguirre, Qun Ma, Thierry Matthey, Jeremiah Willcock, Thomas Slabach, Branden Moore et al.
      Pages 146-174
  5. Monte Carlo Methods

  6. Other Conformational Sampling Methods

    1. Front Matter
      Pages 233-233
    2. Alexander Fischer, Christof Schütte, Peter Deuflhard, Frank Cordes
      Pages 235-259
    3. T. Galliat, P. Deuflhard, R. Roitzsch, F. Cordes
      Pages 260-284
  7. Free Energy Methods

  8. Long Range Interactions and Fast Electrostatics Methods

  9. Statistical Approaches to Protein Structures

    1. Front Matter
      Pages 443-443
    2. Anthony K. Felts, Anders Wallqvist, Emilio Gallicchio, Donna Bassolino, Stanley R. Krystek, Ronald M. Levy
      Pages 445-476
    3. Stephen A. Cammer, Charles W. Carter Jr., Alexander Tropsha
      Pages 477-494
  10. Back Matter
    Pages 496-508

About these proceedings


Monte Carlo Proteomics biomolecules computational methods enzymatic reactions enzymes fast electrostatics free energy macromolecular modeling modeling molecular dynamics simulation

Editors and affiliations

  • Tamar Schlick
    • 1
    • 2
  • Hin Hark Gan
    • 1
    • 2
  1. 1.Department of Chemistry, Courant Institute of Mathematical SciencesNew York UniversityNew YorkUSA
  2. 2.Howard Hughes Medical InstituteNew YorkUSA

Bibliographic information

  • DOI
  • Copyright Information Springer-Verlag Berlin Heidelberg 2002
  • Publisher Name Springer, Berlin, Heidelberg
  • eBook Packages Springer Book Archive
  • Print ISBN 978-3-540-43756-7
  • Online ISBN 978-3-642-56080-4
  • Series Print ISSN 1439-7358
  • Buy this book on publisher's site
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