- Research Interests
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- Methods development in protein crystallography
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I am broadly interested in developing and applying new technologies
new computational techniques to problems of molecular structure.
I have worked on beamline design, robotics, and the creation of
new and better computational tools for modelling, analyzing, visualizing
and interpreting protein structures. One such project is the
use of TLS models to detect and describe local flexibility in proteins.
These models are applicable to protein-protein docking and to model
ligand binding at a flexible binding site.
- Structural genomics
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My lab is interested in using structural genomics to
identify opportunities to design new drugs targetting infectious diseases.
Under the NIH Structural Genomics Initiative the lab was part of the
SSGP (Seattle Structural Genomics Project) and MSGPP
(Medical Structural Genomics of Pathogenic Protozoa) Consortia.
In collaboration with other UW groups, we successfully identified and
characterized several proteins as being potential drug targets.
- Structure-based drug design
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One project spun off from targetted structural genomics was the development
of drugs targetting Ca-dependent Protein Kinases (CDPKs), a class of proteins
found in apicomplexan parasites but not in humans.
We have identified very promising nanomolar CDPK inhibitors that are active
against Cryptosporidia and Toxoplasma.
Further work may capitalize on the presence of homologous target proteins
in the malarial parasite (Plasmodia) and in the related protozoan pest
Eimeria. This work is a collaboration with groups in the UW departments
of Biochemistry, Chemistry, Global Health, and Medicine, and the
Seattle Structural Genomics Center for Infectious Disease.
- Molecular Graphics and Data Visualization
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Since graduate school days I have been interested in the ways computer
graphics can be used to visualize biological molecules and to present
scientific data interactively. The links below include some vignettes
of my work on MadGraph, Raster3D, TLSMD, and gnuplot.
- Links to further information on these research projects
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- Publications
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Merritt Publications