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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 ; Web: http://bidd.nus.edu.sg. Content Example of pathway simulation work and map Pathway simulation model and equations
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Lecture 6: Determination of Pathway ParametersY.Z. ChenDepartment of PharmacyNational University of SingaporeTel: 65-6616-6877; Email: phacyz@nus.edu.sg ; Web: http://bidd.nus.edu.sg • Content • Example of pathway simulation work and map • Pathway simulation model and equations • Pathway simulation parameters • Pathway simulation parameter estimation methods • Sequence similarity, Global optimization (against protein concentrations), QKIR • Parameter sensitivity analysis
Pathway Simulation Work Hatakeyama Biochem J 373, 451 (2003)
Pathway Map Hatakeyama Biochem J 373, 451 (2003)
Pathway Mathematical Model Materi & Wishart Drug Discov Today 12, 295 (2007)
Pathway Mathematical Model Hatakeyama Biochem J 373, 451 (2003)
Pathway Simulation Equations Hatakeyama Biochem J 373, 451 (2003)
Pathway Simulation Equations Hatakeyama Biochem J 373, 451 (2003)
Pathway Simulation Equations Hatakeyama Biochem J 373, 451 (2003)
Pathway Simulation Parameters Hatakeyama Biochem J 373, 451 (2003)
Pathway Simulation Parameters Hatakeyama Biochem J 373, 451 (2003)
Pathway Simulation Parameter Estimation I: Exploration of Similarity Protein Pairs
Pathway Simulation Parameter Estimation I: Exploration of Similarity Protein Pairs
Pathway Simulation Parameter Estimation I: Exploration of Similarity Protein Pairs
Pathway Simulation Parameter Estimation I: Exploration of Similarity Protein Pairs Shimada, Arch Biochem Biophys 435, 207 (2005)
Pathway Simulation Parameter Estimation I: Exploration of Similarity Protein Pairs Shimada, Arch Biochem Biophys 435, 207 (2005)
Pathway Simulation Parameter Estimation I: Exploration of Similarity Protein Pairs
Pathway Simulation Parameter Estimation I: Exploration of Similarity Protein Pairs Li, J Biol Chem 337, 743 (2004)
Pathway Simulation Parameter Estimation I: Exploration of Similarity Protein Pairs Li, J Biol Chem 337, 743 (2004)
Pathway Simulation Parameter Estimation I: Exploration of Similarity Protein Pairs
Pathway Simulation Parameter Estimation I: Exploration of Similarity Protein Pairs Keeble, Biochemistry 45, 3243 (2006)
Pathway Simulation Parameter Estimation I: Exploration of Similarity Proteins (Different Substrates)
Pathway Simulation Parameter Estimation I: Exploration of Similarity Proteins (Different Substrates) Ober, J Biol Chem 278, 12805 (2003)
Pathway Simulation Parameter Estimation I: Exploration of Similarity Proteins (Same Substrate)
Pathway Simulation Parameter Estimation I: Exploration of Similarity Proteins (Same Substrate)
Pathway Simulation Parameter Estimation I: Exploration of Similarity Proteins (Different Substrates)
Pathway Simulation Parameter Estimation I: Exploration of Similarity Proteins (Different Substrates) Khan, J Biol Chem 281, 11702 (2006)
Pathway Simulation Parameter Estimation I: Exceptions: Similarity Proteins Not always Work
Pathway Simulation Parameter Estimation II:Global Optimization Method (GOM) Moles, Genome Research 13, 2467 (2003)
Pathway Simulation Parameter Estimation II:Global Optimization Method (GOM) Moles, Genome Research 13, 2467 (2003) Example of decision variables: protein concentrations
Pathway Simulation Parameter Estimation II:Application of GOM to a Model Pathway Moles, Genome Research 13, 2467 (2003)
Pathway Simulation Parameter Estimation II:Parameters and Decision Variable Values Moles, Genome Research 13, 2467 (2003)
Pathway Simulation Parameter Estimation II:Pathway Simulation Equations Moles, Genome Research 13, 2467 (2003)
Pathway Simulation Parameter Estimation II:Pathway Simulation Parameter Fitting Curves Moles, Genome Research 13, 2467 (2003)
Pathway Simulation Parameter Estimation II:Pathway Simulation Parameter Fitting Curves Moles, Genome Research 13, 2467 (2003)
Pathway Simulation Parameter Estimation II:Other Studies Using GOM Strategy
Pathway Simulation Parameter Estimation III: Quantitative kinetics-Interaction Fields Relationship (QKIR)
Pathway Simulation Parameter Estimation III: Quantitative kinetics-Interaction Fields Relationship (QKIR) BMC Bioinformatics 8, 373 (2007)
Pathway Simulation Parameter Estimation III: Quantitative kinetics-Interaction Fields Relationship (QKIR) BMC Bioinformatics 8, 373 (2007)
Pathway Simulation Parameter Estimation III: Quantitative kinetics-Interaction Fields Relationship (QKIR) BMC Bioinformatics 8, 373 (2007)