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» The Inference Based on Molecular Computing
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VIS
2004
IEEE
148views Visualization» more  VIS 2004»
14 years 11 months ago
Detection and Visualization of Anomalous Structures in Molecular Dynamics Simulation Data
In this article we explore techniques to detect and visualize features in data from molecular dynamics (MD) simulations. Although the techniques proposed are general, we focus on ...
John Wilkins, Kaden Hazzard, Raghu Machiraju, Same...
SMA
2010
ACM
177views Solid Modeling» more  SMA 2010»
13 years 10 months ago
Multi-level grid algorithms for faster molecular energetics
Bio-molecules reach their stable configuration in solvent which is primarily water with a small concentration of salt ions. One approximation of the total free energy of a bio-mol...
Rezaul Alam Chowdhury, Chandrajit L. Bajaj
SMA
2009
ACM
185views Solid Modeling» more  SMA 2009»
14 years 4 months ago
A dynamic data structure for flexible molecular maintenance and informatics
We present the “Dynamic Packing Grid” (DPG) data structure along with details of our implementation and performance results, for maintaining and manipulating flexible molecul...
Chandrajit L. Bajaj, Rezaul Alam Chowdhury, Muhibu...
SKG
2006
IEEE
14 years 3 months ago
Abox Inference for Large Scale OWL-Lite Data
Abox inference is an important part in OWL data management. When involving large scale of instance data, it can not be supported by existing inference engines. In this paper, we p...
Xiaofeng Wang, Jianbo Ou, Xiaofeng Meng, Yan Chen
ICMENS
2003
IEEE
80views Hardware» more  ICMENS 2003»
14 years 3 months ago
Molecular Dynamics Calculations of the Electrostatic Properties of Tubulin and Their Consequences for Microtubules
crystallographic results were made available through the Protein Data Bank (PDB) (entries: ITUB and IJFF) which allowed us to view the 3D atomic resolution structure oftubulin. (se...
J. A. Tuszynski, E. J. Carpenter, E. Crawford, J. ...