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ICML
2007
IEEE
16 years 14 days ago
An integrated approach to feature invention and model construction for drug activity prediction
We present a new machine learning approach for 3D-QSAR, the task of predicting binding affinities of molecules to target proteins based on 3D structure. Our approach predicts bind...
David Page, Jesse Davis, Soumya Ray, Vítor ...
97
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WABI
2005
Springer
120views Bioinformatics» more  WABI 2005»
15 years 5 months ago
Multiple Structural RNA Alignment with Lagrangian Relaxation
In contrast to proteins, many classes of functionally related RNA molecules show a rather weak sequence conservation but instead a fairly well conserved secondary structure. Hence ...
Markus Bauer, Gunnar W. Klau, Knut Reinert
RECOMB
2003
Springer
15 years 12 months ago
Modeling dependencies in protein-DNA binding sites
The availability of whole genome sequences and high-throughput genomic assays opens the door for in silico analysis of transcription regulation. This includes methods for discover...
Yoseph Barash, Gal Elidan, Nir Friedman, Tommy Kap...
107
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BMCBI
2010
121views more  BMCBI 2010»
14 years 11 months ago
Knowledge-based annotation of small molecule binding sites in proteins
Background: The study of protein-small molecule interactions is vital for understanding protein function and for practical applications in drug discovery. To benefit from the rapi...
Ratna R. Thangudu, Manoj Tyagi, Benjamin A. Shoema...
125
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ESWA
2006
122views more  ESWA 2006»
14 years 11 months ago
Transmembrane segments prediction and understanding using support vector machine and decision tree
In recent years, there have been many studies focusing on improving the accuracy of prediction of transmembrane segments, and many significant results have been achieved. In spite...
Jieyue He, Hae-Jin Hu, Robert W. Harrison, Phang C...