[Colloquium] Reminder: Guest Speaker @ TTI-C Today (4/11/06)

[Katherine Cumming]

**********TTI-C Guest Speaker Today ***********
                               April 11, 2006
        Presented by:  Toyota Technological Institute at Chicago
 
 
Speaker:  Ryan Lilien, Dartmouth College
Speaker's home page:   http://www.dartmouth.edu/~lilien/
 
Date: Tuesday, April 11, 2006 
Location: TTI-C Conference Room
Time:  10:00 am
Title:   Algorithmic Challenges and Biological Results in Computational and
Systems Biology
Abstract:
With the recent completion of the human genome project researchers are
racing to determine the correlations between genomic sequence and protein
expression, the structures and functions of these proteins and protein
systems, and the molecular derangements present in disease.  This talk will
discuss several of our recent projects in Computational and Systems Biology
including the development of efficient algorithms for (1) modeling of
molecular flexibility using molecular ensembles for drug design and protein
redesign (K*), (2) analysis of mass spectrometry proteomics data of human
blood sera for disease diagnosis (Q5), and (3) extending data analysis for
structural biology and macromolecular structure determination.  We will
focus on the first of these projects: We developed a novel algorithm for
protein redesign, which combines a statistical mechanics-derived
ensemble-based approach to computing the binding constant with the speed and
completeness of a branch-and-bound pruning algorithm.  In addition, we show
that the state-of-the-art dead-end elimination (DEE) pruning criteria for
identifying low-energy conformations cannot be used directly in computing
partition functions with energy minimization.  We therefore extend the DEE
framework to allow DEE to be incorporated into a hybrid ensemble-based
mutation search incorporating DEE, A* search, and our ensemble-based scoring
function K*.

Note: If you understand that, at a high-level, atoms come together to form
molecules, then you have the necessary chemical and biological background
for this talk. 
 
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If you have questions, or would like to meet the speaker, please contact
Katherine at 773-834-1994 or kcumming at tti-c.org   
For information on future TTI-C talks and events, please go to the TTI-C
Events page:  http://www.tti-c.org/events.html.  TTI-C (1427 East 60th
Street, Chicago, IL  60637)
 
 
 
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