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» A Comparative Study of 2QBF Algorithms
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BMCBI
2010
105views more  BMCBI 2010»
15 years 4 months ago
A knowledge-guided strategy for improving the accuracy of scoring functions in binding affinity prediction
Background: Current scoring functions are not very successful in protein-ligand binding affinity prediction albeit their popularity in structure-based drug designs. Here, we propo...
Tiejun Cheng, Zhihai Liu, Renxiao Wang
BMCBI
2010
126views more  BMCBI 2010»
15 years 4 months ago
A boosting method for maximizing the partial area under the ROC curve
Background: The receiver operating characteristic (ROC) curve is a fundamental tool to assess the discriminant performance for not only a single marker but also a score function c...
Osamu Komori, Shinto Eguchi
BMCBI
2010
116views more  BMCBI 2010»
15 years 4 months ago
A hybrid approach to protein folding problem integrating constraint programming with local search
Background: The protein folding problem remains one of the most challenging open problems in computational biology. Simplified models in terms of lattice structure and energy func...
Abu Zafer M. Dayem Ullah, Kathleen Steinhöfel
BMCBI
2010
122views more  BMCBI 2010»
15 years 4 months ago
An automated framework for understanding structural variations in the binding grooves of MHC class II molecules
Background: MHC/HLA class II molecules are important components of the immune system and play a critical role in processes such as phagocytosis. Understanding peptide recognition ...
Kalidas Yeturu, Tapani Utriainen, Graham J. L. Kem...
BMCBI
2008
137views more  BMCBI 2008»
15 years 4 months ago
VennMaster: Area-proportional Euler diagrams for functional GO analysis of microarrays
Background: Microarray experiments generate vast amounts of data. The functional context of differentially expressed genes can be assessed by querying the Gene Ontology (GO) datab...
Hans A. Kestler, André Müller, Johann ...