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» Visualizing Dynamic Molecular Conformations
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IPPS
2008
IEEE
15 years 5 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»
15 years 4 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»
14 years 11 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»
14 years 6 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
15 years 3 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...