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» VRML Molecular Dynamics Trajectories
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VL
2005
IEEE
104views Visual Languages» more  VL 2005»
13 years 10 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 4 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,...
JCC
2011
105views more  JCC 2011»
12 years 11 months ago
Wordom: A user-friendly program for the analysis of molecular structures, trajectories, and free energy surfaces
Abstract: Wordom is a versatile, user-friendly, and efficient program for manipulation and analysis of molecular structures and dynamics. The following new analysis modules have b...
Michele Seeber, Angelo Felline, Francesco Raimondi...
JCC
2002
94views more  JCC 2002»
13 years 4 months ago
Modern protein force fields behave comparably in molecular dynamics simulations
: Several molecular dynamics simulations were performed on three proteins--bovine apo-calbindin D9K, human interleukin-4 R88Q mutant, and domain IIA of bacillus subtilis glucose pe...
Daniel J. Price, Charles L. Brooks III
CGF
2010
193views more  CGF 2010»
13 years 4 months ago
Accelerated Visualization of Dynamic Molecular Surfaces
Molecular surfaces play an important role in studying the interactions between molecules. Visualizing the dynamic behavior of molecules is particularly interesting to gain insight...
Norbert Lindow, Daniel Baum, Steffen Prohaska, Han...