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» Visualizing Dynamic Molecular Conformations
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IPPS
2008
IEEE
14 years 1 months ago
Model-guided performance tuning of parameter values: A case study with molecular dynamics visualization
In this paper, we consider the interaction between application programmers and tools that automatically search a space of application-level parameters that are believed to impact ...
Yiinju L. Nelson, Bhupesh Bansal, Mary W. Hall, Ai...
VL
2005
IEEE
104views Visual Languages» more  VL 2005»
14 years 1 months ago
Using a Molecular Metaphor to Facilitate Comprehension of 3D Object Diagrams
This paper presents a strategy for the visualization of dynamic object relationships in Java programs. The metaphor of a chemical molecule is used to aid comprehension, and to hel...
Brian A. Malloy, James F. Power
JCC
2008
114views more  JCC 2008»
13 years 7 months ago
Molecular simulation of multistate peptide dynamics: A comparison between microsecond timescale sampling and multiple shorter tr
Abstract: Molecular dynamics simulations of the RN24 peptide, which includes a diverse set of structurally heterogeneous states, are carried out in explicit solvent. Two approaches...
Luca Monticelli, Eric J. Sorin, D. Peter Tieleman,...
BMCBI
2010
131views more  BMCBI 2010»
13 years 2 months ago
Dynamics based alignment of proteins: an alternative approach to quantify dynamic similarity
Background: The dynamic motions of many proteins are central to their function. It therefore follows that the dynamic requirements of a protein are evolutionary constrained. In or...
Márton Münz, Rune B. Lyngsø, Jo...
COMPGEOM
1994
ACM
13 years 11 months ago
Interactive Visualization of Weighted Three-Dimensional Alpha Hulls
An interactive visualization of weighted three-dimensional -hulls is presented for static and dynamic spheres. The -hull is analytically computed and represented by a triangulated...
Amitabh Varshney, Frederick P. Brooks Jr., William...