Bachelor of Science in Chemistry, University of Massachusetts, Boston
Master of Science in Chemistry, University of California, Santa Barbara
Graduate Research:
Optical Properties and Molecular Modeling of Cyclic Dipeptides
Background:
Most drugs in use today were discovered empirically. Lead compounds
were generated by screening large numbers of synthetic or
natural products for a desirable effect in some test system.
The test system might, or might not, be a good model for
the human illness under study.
Once a lead compound has been identified, its activity can be
improved and its side effects reduced through systematic
molecular modifications. The entire process, however, is largely
trial and error.
The modern approach to studying human illness, based on molecular
biology, identifies the origins of clinical observations
at the molecular level. For example, the three-dimensional
structure of an enzyme and its active site, perhaps vital to
viral replication, is identified. A drug which can block this
active site can be rationally designed. Viral replication is
stopped. This is where computers, via molecular modeling, become
useful.
Molecular modeling is the process of predicting three-dimensional
structure and other chemical properties of molecules using
computational methods. All molecular modeling methods require
the use of data derived from experimental measurements on known molecules.
A mathematical format for generalizing this experimental data
allows measurements from known systems to be extended to
unknown systems.
How reliable is the modeling software in cases where a high degree
of accuracy is essential? Through the use of circular
dichroism (CD) spectroscopy, an experimental technique to
determine the conformation of molecules in solution, and
cyclic dipeptides, which serve as model compounds, I was able
to shed some light on this question. Read on for more information.
Graduate Coursework: GPA 3.92
Inorganic Photochemistry/Photophysics
Bioinorganic Reaction Mechanisms
Biological Macromolecules
Physical Biochemistry
Enzyme Kinetic Mechanisms
Computer Science Coursework:
Introduction to Computer Programming (in Java)
Intermediate Programming with Data Structures (in Java)
Programming in C
Advanced Data Structures (in C)
Applied Discrete Math
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