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

About these proceedings

Keywords

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 https://doi.org/10.1007/978-3-642-56080-4
  • 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
  • About this book