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NAR
2011
189views Computer Vision» more  NAR 2011»
14 years 27 days ago
EDULISS: a small-molecule database with data-mining and pharmacophore searching capabilities
We present the relational database EDULISS (EDinburgh University Ligand Selection System), which stores structural, physicochemical and pharmacophoric properties of small molecule...
Kun-Yi Hsin, Hugh P. Morgan, Steven R. Shave, Andr...
BMCBI
2006
150views more  BMCBI 2006»
14 years 10 months ago
Protein structure similarity from principle component correlation analysis
Background: Owing to rapid expansion of protein structure databases in recent years, methods of structure comparison are becoming increasingly effective and important in revealing...
Xiaobo Zhou, James Chou, Stephen T. C. Wong
ISMB
1996
14 years 11 months ago
A Knowledge-Based Method for Protein Structure Refinement and Prediction
The native conformation of a protein, in a given environment, is determined entirely by the various interatomic interactions dictated by the amino acid sequence (1-3). We describe...
Shankar Subramaniam, David K. Tcheng, James M. Fen...
BMCBI
2008
138views more  BMCBI 2008»
14 years 10 months ago
Using neural networks and evolutionary information in decoy discrimination for protein tertiary structure prediction
Background: We present a novel method of protein fold decoy discrimination using machine learning, more specifically using neural networks. Here, decoy discrimination is represent...
Ching-Wai Tan, David T. Jones
ISBRA
2007
Springer
15 years 4 months ago
Reconstruction of 3D Structures from Protein Contact Maps
Proteins are large organic compounds made of amino acids arranged in a linear chain (primary structure). Most proteins fold into unique threedimensional (3D) structures called inte...
Marco Vassura, Luciano Margara, Filippo Medri, Pie...