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» Salient Frame Detection for Molecular Dynamics Simulations
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3DIM
2005
IEEE
15 years 3 months ago
Multi-Resolution Modeling and Locally Refined Collision Detection for Haptic Interaction
The computational cost of a collision detection (CD) algorithm on polygonal surfaces depends highly on the complexity of the models. A novel “locally refined” approach is intr...
Peiran Liu, Xiaojun Shen, Nicolas D. Georganas, Ge...
RECOMB
2007
Springer
15 years 9 months ago
Free Energy Estimates of All-Atom Protein Structures Using Generalized Belief Propagation
We present a technique for approximating the free energy of protein structures using Generalized Belief Propagation (GBP). The accuracy and utility of these estimates are then demo...
Hetunandan Kamisetty, Eric P. Xing, Christopher Ja...
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BMCBI
2007
99views more  BMCBI 2007»
14 years 9 months ago
Identifying allosteric fluctuation transitions between different protein conformational states as applied to Cyclin Dependent Ki
Background: The mechanisms underlying protein function and associated conformational change are dominated by a series of local entropy fluctuations affecting the global structure ...
Jenny Gu, Philip E. Bourne
MICCAI
2008
Springer
15 years 10 months ago
Spatial Weighed Element Based FEM Incorporating a Priori Information on Bioluminescence Tomography
Bioluminescence tomography (BLT) is a promising imaging technique which may dynamically and real-timely detect the molecular and cellular activity at the whole-body level in small ...
Jin Shi, Jie Tian, Min Xu, Wei Yang
ALMOB
2007
170views more  ALMOB 2007»
14 years 9 months ago
A spatio-temporal mining approach towards summarizing and analyzing protein folding trajectories
Understanding the protein folding mechanism remains a grand challenge in structural biology. In the past several years, computational theories in molecular dynamics have been empl...
Hui Yang, Srinivasan Parthasarathy, Duygu Ucar