Research / Clinical
Summary
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Diseases/Research Topics
Computational Biology, Computer-aided Drug Discovery
The McCammon group focuses on computational biology, including the development and application of methods for structure-based drug discovery. They developed a computer model that helps to explain the relative binding preferences of ligands to the active site of the cyclic-AMP-dependent protein kinase, in collaboration with Susan Taylor's group at UCSD. The group has developed innovative methods for taking the flexibility of a target (such as an enzyme) into account in computer-aided drug discovery efforts.
Applications of such methods have helped guide the discovery of a 'first in class' drug targeting the HIV integrase enzyme . The polymerization of actin has been quantitatively described by a new theoretical model, and the results help to explain experimental data that had previously been difficult to understand.
The McCammon group has also developed novel methods for modeling very large cellular structures such as microtubules and ribosomes, opening the way to using such structures as new targets in structure-based drug discovery.
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