HIV/AIDS Drug Development
Method predicts structure-based activity of HIV-1 RT inhibitors
Published in Hematology Week, June 13th, 2005
"We have developed a fast and robust computational method for prediction of antiviral activity in automated de novo design of HIV-1 reverse transcriptase inhibitors.
"This is a structure-based approach that uses a linear relation between activity and interaction energy with discrete orientation sampling and with localized interaction energy terms," researchers in Belgium report.
"The localization allows for the analysis of mutations of the protein target and for the separation of inhibition and a specific binding to the enzyme. We apply...
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Source: Hematology Week (2005-06-13)
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