Problems in Computational Biology and
Bioinformatics
1.Protein folding: predict 3-D structure of a protein
2.Flexible protein docking: predict affinity of a medicine to an enzyme which has a lot of flexibility
3.Protein interaction network: predict which proteins interact from available data
4.Morphogenesis: simulate cell interaction with genetics to control development of animal embryos
CHALLENGES:
•
Large systems--millions of
“particles”
•
Multiple space and time scales
•
Complex problems means complex (not complicated) solutions!