--------------------------------------------------------------------
     COLLOQUIUM OF THE COMPUTATIONAL MATERIALS SCIENCE CENTER
AND THE SCHOOL OF PHYSICS, ASTRONOMY, & COMPUTATIONAL SCIENCES
                            (CSI 898-Sec 001)
--------------------------------------------------------------------

A machine learning framework for analyzing protein-molecule interactions

                              Huzefa Rangwala 
 Computer Science Department, George Mason University, Fairfax, VA

Proteins have a vast influence on the molecular machinery of life.
Stunningly complex networks of proteins perform innumerable functions
in every living cell.  Small organic molecules (a.k.a. ligands) can
bind to different proteins and modulate (inhibit/activate) their
functions. Understanding these interactions provides insight into the
underlying biological processes and is useful for designing therapeutic 
drugs. 

In this talk I will describe our work related to the analysis of 
information associated with proteins and their interacting molecule
partners (protein-ligand activity matrix). The underlying hypothesis
of our approach is that by extracting information from protein-ligand
activity matrix, we are drawing bridges between the structure of
chemical compounds (chemical space) and the structure of the proteins
and their functions (biological space).  

                          October 28, 2013
                               4:30 pm
                    Room 3301, Exploratory Hall, Fairfax Campus

Refreshments will be served at 4:15 PM.
----------------------------------------------------------------------
Find the schedule at http://www.cmasc.gmu.edu/seminars.htm