Lecture 6: Determination of Pathway Parameters Y.Z. Chen Department of Pharmacy National University...
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Transcript of Lecture 6: Determination of Pathway Parameters Y.Z. Chen Department of Pharmacy National University...
![Page 1: Lecture 6: Determination of Pathway Parameters Y.Z. Chen Department of Pharmacy National University of Singapore Tel: 65-6616-6877; Email: phacyz@nus.edu.sg.](https://reader036.fdocuments.net/reader036/viewer/2022062421/56649cb65503460f9497b753/html5/thumbnails/1.jpg)
Lecture 6: Determination of Pathway ParametersLecture 6: Determination of Pathway Parameters Y.Z. ChenY.Z. Chen
Department of PharmacyDepartment of PharmacyNational University of SingaporeNational University of Singapore
Tel: 65-6616-6877; Email: Tel: 65-6616-6877; Email: [email protected] ; Web: ; Web: http://bidd.nus.edu.sg
ContentContent
• Example of pathway simulation work and mapExample of pathway simulation work and map
• Pathway simulation model and equations Pathway simulation model and equations
• Pathway simulation parametersPathway simulation parameters
• Pathway simulation parameter estimation methodsPathway simulation parameter estimation methods
• Sequence similarity, Global optimization (against protein Sequence similarity, Global optimization (against protein concentrations), QKIRconcentrations), QKIR
• Parameter sensitivity analysisParameter sensitivity analysis
![Page 2: Lecture 6: Determination of Pathway Parameters Y.Z. Chen Department of Pharmacy National University of Singapore Tel: 65-6616-6877; Email: phacyz@nus.edu.sg.](https://reader036.fdocuments.net/reader036/viewer/2022062421/56649cb65503460f9497b753/html5/thumbnails/2.jpg)
Pathway Simulation WorkPathway Simulation Work
2121 PPSS 2121 PPSS
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Pathway Pathway Simulation Simulation
WorkWork
2121 PPSS 2121 PPSS
Hatakeyama Biochem J 373, 451 (2003)
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2121 PPSS 2121 PPSS
Pathway Pathway MapMap
Hatakeyama Biochem J 373, 451 (2003)
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Pathway Mathematical ModelPathway Mathematical Model
2121 PPSS
Materi & Wishart Drug Discov Today 12, 295 (2007)
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Pathway Mathematical ModelPathway Mathematical Model
2121 PPSS
Hatakeyama Biochem J 373, 451 (2003)
![Page 7: Lecture 6: Determination of Pathway Parameters Y.Z. Chen Department of Pharmacy National University of Singapore Tel: 65-6616-6877; Email: phacyz@nus.edu.sg.](https://reader036.fdocuments.net/reader036/viewer/2022062421/56649cb65503460f9497b753/html5/thumbnails/7.jpg)
2121 PPSS 2121 PPSS
Pathway Simulation EquationsPathway Simulation Equations
Hatakeyama Biochem J 373, 451 (2003)
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2121 PPSS 2121 PPSS
Pathway Pathway Simulation Simulation EquationsEquations
Hatakeyama Biochem J 373, 451 (2003)
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2121 PPSS 2121 PPSS
Pathway Simulation EquationsPathway Simulation Equations
Hatakeyama Biochem J 373, 451 (2003)
![Page 10: Lecture 6: Determination of Pathway Parameters Y.Z. Chen Department of Pharmacy National University of Singapore Tel: 65-6616-6877; Email: phacyz@nus.edu.sg.](https://reader036.fdocuments.net/reader036/viewer/2022062421/56649cb65503460f9497b753/html5/thumbnails/10.jpg)
2121 PPSS 2121 PPSS
Pathway Simulation ParametersPathway Simulation ParametersHatakeyama Biochem J 373, 451
(2003)
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2121 PPSS 2121 PPSS
Pathway Simulation ParametersPathway Simulation Parameters
Hatakeyama Biochem J 373, 451 (2003)
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2121 PPSS 2121 PPSS
Pathway Simulation Parameter Estimation I: Pathway Simulation Parameter Estimation I: Exploration of Similarity Protein PairsExploration of Similarity Protein Pairs
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2121 PPSS 2121 PPSS
Pathway Simulation Parameter Estimation I: Pathway Simulation Parameter Estimation I: Exploration of Similarity Protein Pairs Exploration of Similarity Protein Pairs
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2121 PPSS 2121 PPSS
Pathway Simulation Parameter Estimation I: Pathway Simulation Parameter Estimation I: Exploration of Similarity Protein Pairs Exploration of Similarity Protein Pairs
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2121 PPSS 2121 PPSS
Pathway Simulation Parameter Estimation I: Pathway Simulation Parameter Estimation I: Exploration of Similarity Protein Pairs Exploration of Similarity Protein Pairs
Shimada, Arch Biochem Biophys 435, 207 (2005)
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2121 PPSS 2121 PPSS
Pathway Simulation Parameter Estimation I: Pathway Simulation Parameter Estimation I: Exploration of Similarity Protein Pairs Exploration of Similarity Protein Pairs
Shimada, Arch Biochem Biophys 435, 207 (2005)
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Pathway Simulation Parameter Estimation I: Pathway Simulation Parameter Estimation I: Exploration of Similarity Protein Pairs Exploration of Similarity Protein Pairs
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2121 PPSS 2121 PPSS
Pathway Simulation Parameter Estimation I: Pathway Simulation Parameter Estimation I: Exploration of Similarity Protein Pairs Exploration of Similarity Protein Pairs
Li, J Biol Chem 337, 743 (2004)
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2121 PPSS 2121 PPSS
Pathway Simulation Parameter Estimation I: Pathway Simulation Parameter Estimation I: Exploration of Similarity Protein Pairs Exploration of Similarity Protein Pairs
Li, J Biol Chem 337, 743 (2004)
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Pathway Simulation Parameter Estimation I: Pathway Simulation Parameter Estimation I: Exploration of Similarity Protein Pairs Exploration of Similarity Protein Pairs
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2121 PPSS 2121 PPSS
Pathway Simulation Parameter Estimation I: Pathway Simulation Parameter Estimation I: Exploration of Similarity Protein Pairs Exploration of Similarity Protein Pairs
Keeble, Biochemistry 45, 3243 (2006)
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Pathway Simulation Parameter Estimation I: Pathway Simulation Parameter Estimation I: Exploration of Similarity Proteins (Different Substrates) Exploration of Similarity Proteins (Different Substrates)
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2121 PPSS 2121 PPSS
Pathway Simulation Parameter Estimation I: Pathway Simulation Parameter Estimation I: Exploration of Similarity Proteins (Different Substrates)Exploration of Similarity Proteins (Different Substrates)
Ober, J Biol Chem 278, 12805 (2003)
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Pathway Simulation Parameter Estimation I: Pathway Simulation Parameter Estimation I: Exploration of Similarity Proteins (Same Substrate) Exploration of Similarity Proteins (Same Substrate)
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Pathway Simulation Parameter Estimation I: Pathway Simulation Parameter Estimation I: Exploration of Similarity Proteins (Same Substrate) Exploration of Similarity Proteins (Same Substrate)
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Pathway Simulation Parameter Estimation I: Pathway Simulation Parameter Estimation I: Exploration of Similarity Proteins (Different Substrates)Exploration of Similarity Proteins (Different Substrates)
![Page 27: Lecture 6: Determination of Pathway Parameters Y.Z. Chen Department of Pharmacy National University of Singapore Tel: 65-6616-6877; Email: phacyz@nus.edu.sg.](https://reader036.fdocuments.net/reader036/viewer/2022062421/56649cb65503460f9497b753/html5/thumbnails/27.jpg)
Pathway Simulation Parameter Estimation I: Pathway Simulation Parameter Estimation I: Exploration of Similarity Proteins (Different Substrates)Exploration of Similarity Proteins (Different Substrates)
Khan, J Biol Chem 281, 11702 (2006)
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2121 PPSS 2121 PPSS
Pathway Simulation Parameter Estimation I: Pathway Simulation Parameter Estimation I: Exceptions: Similarity Proteins Not always Work Exceptions: Similarity Proteins Not always Work
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2121 PPSS 2121 PPSS
Pathway Simulation Parameter Estimation II:Pathway Simulation Parameter Estimation II:Global Optimization Method (GOM)Global Optimization Method (GOM)
Moles, Genome Research 13, 2467 (2003)
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2121 PPSS 2121 PPSS
Pathway Simulation Parameter Estimation II:Pathway Simulation Parameter Estimation II:Global Optimization Method (GOM)Global Optimization Method (GOM)
Moles, Genome Research 13, 2467 (2003)
Example of decision variables:protein concentrations
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2121 PPSS 2121 PPSS
Pathway Simulation Parameter Estimation II:Pathway Simulation Parameter Estimation II:Application of GOM to a Model PathwayApplication of GOM to a Model Pathway
Moles, Genome Research 13, 2467 (2003)
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2121 PPSS 2121 PPSS
Pathway Simulation Parameter Estimation II:Pathway Simulation Parameter Estimation II:Parameters and Decision Variable Values Parameters and Decision Variable Values
Moles, Genome Research 13, 2467 (2003)
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2121 PPSS 2121 PPSS
Pathway Simulation Parameter Estimation II:Pathway Simulation Parameter Estimation II:Pathway Simulation EquationsPathway Simulation Equations
Moles, Genome Research 13, 2467 (2003)
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2121 PPSS 2121 PPSS
Pathway Simulation Parameter Estimation II:Pathway Simulation Parameter Estimation II:Pathway Simulation Parameter Fitting CurvesPathway Simulation Parameter Fitting Curves
Moles, Genome Research 13, 2467 (2003)
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2121 PPSS 2121 PPSS
Pathway Simulation Parameter Estimation II:Pathway Simulation Parameter Estimation II:Pathway Simulation Parameter Fitting CurvesPathway Simulation Parameter Fitting Curves
Moles, Genome Research 13, 2467 (2003)
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Pathway Simulation Parameter Estimation II:Pathway Simulation Parameter Estimation II:Other Studies Using GOM StrategyOther Studies Using GOM Strategy
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Pathway Simulation Parameter Estimation III: Pathway Simulation Parameter Estimation III: Quantitative kinetics-Interaction Fields Relationship (QKIR)Quantitative kinetics-Interaction Fields Relationship (QKIR)
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Pathway Simulation Parameter Estimation III: Pathway Simulation Parameter Estimation III: Quantitative kinetics-Interaction Fields Relationship (QKIR)Quantitative kinetics-Interaction Fields Relationship (QKIR)
BMC Bioinformatics 8, 373 (2007)
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Pathway Simulation Parameter Estimation III: Pathway Simulation Parameter Estimation III: Quantitative kinetics-Interaction Fields Relationship (QKIR)Quantitative kinetics-Interaction Fields Relationship (QKIR)
BMC Bioinformatics 8, 373 (2007)
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Pathway Simulation Parameter Estimation III: Pathway Simulation Parameter Estimation III: Quantitative kinetics-Interaction Fields Relationship (QKIR)Quantitative kinetics-Interaction Fields Relationship (QKIR)
BMC Bioinformatics 8, 373 (2007)
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Pathway Simulation Parameter Sensitivity Analysis Pathway Simulation Parameter Sensitivity Analysis
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Pathway Simulation Parameter Sensitivity Analysis Pathway Simulation Parameter Sensitivity Analysis
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Pathway Simulation Parameter Sensitivity Analysis Pathway Simulation Parameter Sensitivity Analysis
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Pathway Simulation Parameter Sensitivity Analysis Pathway Simulation Parameter Sensitivity Analysis
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Pathway Simulation Parameter Sensitivity Analysis Pathway Simulation Parameter Sensitivity Analysis
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Pathway Simulation Parameter Sensitivity Analysis Pathway Simulation Parameter Sensitivity Analysis
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