Simulation of Hybridization Jang HaYoung
NACST/Sim Lab experiment simulation tool Hybridization, PCR, gel electrophoresis Using thermodynamic data & artificial chemistry Hybridization simulator © 2003 SNU CSE Biointelligence Lab
© 2003 SNU CSE Biointelligence Lab NACST/Sim Virtual Hybridization Essential to almost all the lab experiment. First step to simulation of lab experiment. © 2003 SNU CSE Biointelligence Lab
© 2003 SNU CSE Biointelligence Lab NACST/Sim Nearest Neighbor method with 1-base mismatch © 2003 SNU CSE Biointelligence Lab
© 2003 SNU CSE Biointelligence Lab NACST/Sim Nearest Neighbor method CGTACCTTAGGCT AGCTTAGGATGGCATGGAATCCGATGCATGGC © 2003 SNU CSE Biointelligence Lab
© 2003 SNU CSE Biointelligence Lab NACST/Sim Difficulties © 2003 SNU CSE Biointelligence Lab
© 2003 SNU CSE Biointelligence Lab NACST/Sim Difficulties Nearest Neighbor method? How can handle chain reaction? What is the reasonable size of the tube? How can detect the result? © 2003 SNU CSE Biointelligence Lab
© 2003 SNU CSE Biointelligence Lab NACST/Sim Objective Parallelize? Refine the data structure Use sigmoid function as decision maker Handle the bulge and hairpin © 2003 SNU CSE Biointelligence Lab
DNA/RNA Secondary Structure Thermodynamic method: Free Energy minimization– Zuker algorithm. Phylogenetic comparative method Grammar induction method Molecular Dynamics © 2003 SNU CSE Biointelligence Lab
DNA/RNA Secondary Structure Grammar induction method Use stochastic context-free grammar Parse tree of the sequences represents the secondary sturcture A kind of thermodynamic method How can design the grammar? © 2003 SNU CSE Biointelligence Lab