COMPUTATIONAL STUDY OF HORMONE BINDING DETERMINANTS IN HGHBP COMPLEX

$273,230P41FY2001RRNIH

University Of California San Francisco, San Francisco CA

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Abstract

Alanine scanning is a well established experimental strategy to identify the specific side chain interaction between proteins. However, this strategy is labor and time consuming. We are developing a computational strategy to determine the specific side chain interaction between human growth hormone and receptor. This strategy requires only a single run of molecular dynamic simulations with free energy analysis following. We visualize the hormone-receptor complex, especially the binding site. The interactive computer graphics resources are very useful for examining our simulation results.

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