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S. Kinnings, N. Liu, N. Buchmeier, P.J. Tonge, L. Xie and P.E. Bourne 2009
"Drug discovery using chemical systems biology: repositioning the safe medicine Comtan to treat multi-drug and extensively drug resistant tuberculosis". PLoS Comp. Biol., 5(7):e1000423 [PDF]
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L. Xie, J. Li, L. Xie and P.E. Bourne 2009
"Drug Discovery Using Chemical Systems Biology: Identification of the Protein-Ligand Binding Network To Explain the Side Effects of CETP Inhibitors". PLoS Comp. Biol., 5(5):e1000387 [PDF]
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L. Xie, L. Xie and P.E. Bourne 2009
"A unified statistical model to support local sequence order independent similarity searching for ligand binding sites and its application to genome-based drug discovery". Bioinformatics, 25(12):i305-i312 [PDF]
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L. Xie, T. Evangelidis, L. Xie and P.E. Bourne 2009
"Repositioning HIV Protease Inhibitors to Target the Human Kinome: A Chemical Systems Biology Approach". In Preparation.
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A. Gramada and P.E.Bourne 2008
"Resolving a Distribution of Charge into Intrinsic Multipole Moments: A Rankwise Distributed Multipole Analysis".
Physical Review E, 78, 066601 [PDF]
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L. Xie and P.E. Bourne 2008
"Detecting Evolutionary Relationships Across Existing Fold Space, Using Sequence Order Independent Profile-profile Alignments".
PNAS, 105(14):5441 [PDF]
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L. Xie, J. Wang and P.E. Bourne 2007
"In Silico Elucidation of the Molecular Mechanism Defining the Adverse Effect of Selective Esterogen Receptor Modulators".
PLoS Comp. Biol., 3(11):e217 [PDF].
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L. Xie, and P.E. Bourne 2007
"A Robust and Efficient Algorithm for the Shape Description of Protein Structures and Its Application in Predicting Ligand Binding Sites".
BMC Bioinformatics, 8(Suppl 4):S9 [PDF].
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The FS project is supported by the National Institutes of Heath (NIH) grant number GM078596 and is located within the Skaggs School of Pharmacy and Pharmaceutical Sciences and the San Diego Supercomputer Center (SDSC) at the University of California San Diego (UCSD). © 2008, The Regents of the University of California |