License: Creative Commons Attribution 4.0 International license (CC BY 4.0)
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DOI: 10.4230/DagSemProc.04351.16
URN: urn:nbn:de:0030-drops-1240
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Moore, Edward L. F. ; Peters, Thomas J. ; Ferguson, David R. ; Stewart, Neil F.

Integrating Topology and Geometry for Macro-Molecular Simulations

04351.PetersThomas.ExtAbstract.124.pdf (0.2 MB)


Emerging macro-molecular simulations, such as supercoiling
of DNA and protein unfolding, have an opportunity to profit from
two decades of experience with geometric models within computer-aided
geometric design (CAGD). For CAGD, static models are often sufficient,
while form and function are inextricably related in biochemistry, resulting
in greater attention to critical topological characteristics of these
dynamic models. The greater emphasis upon dynamic change in macro-molecular
simulations imposes increased demands for faithful integration
of topology and geometry, as well as much stricter requirements
for computational efficiency. This article presents transitions from the
CAGD domain to meet the greater fidelity and performance demands
for macro-molecular simulations.

BibTeX - Entry

  author =	{Moore, Edward L. F. and Peters, Thomas J. and Ferguson, David R. and Stewart, Neil F.},
  title =	{{Integrating Topology and Geometry for Macro-Molecular Simulations}},
  booktitle =	{Spatial Representation: Discrete vs. Continuous Computational Models},
  series =	{Dagstuhl Seminar Proceedings (DagSemProc)},
  ISSN =	{1862-4405},
  year =	{2005},
  volume =	{4351},
  editor =	{Ralph Kopperman and Michael B. Smyth and Dieter Spreen and Julian Webster},
  publisher =	{Schloss Dagstuhl -- Leibniz-Zentrum f{\"u}r Informatik},
  address =	{Dagstuhl, Germany},
  URL =		{},
  URN =		{urn:nbn:de:0030-drops-1240},
  doi =		{10.4230/DagSemProc.04351.16},
  annote =	{Keywords: Computational topology , spline , approximation}

Keywords: Computational topology , spline , approximation
Collection: 04351 - Spatial Representation: Discrete vs. Continuous Computational Models
Issue Date: 2005
Date of publication: 22.04.2005

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