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IN SILICO DRUG DESIGN USING HPC

IN SILICO DRUG DESIGN USING HPC

Medicinal chemists today are facing many complicated challenges. The most demanding and perhaps the most rewarding one is the rational design of new therapeutic agents for treating human diseases. For many years the strategy for discovering new drugs has been to take a lead structure (from natural sources or toxins) and develop (trial and error method) a chemical program to find analog molecules exhibiting the desired biological properties. The entire process is laborious, expensive and time consuming. 

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