COMPUTATION RESEARCH in BOSTON (CRiB)

DateMar.7, 2008
Speaker Mala L. Radhakrishnan (Wellesley College)
TopicComputational Drug Design and Analysis: A Multifaceted Approach
Abstract: Computation is playing an increasingly significant role in the design and analysis of drug molecules to treat disease. Using the HIV-1 protease system and other systems as case studies, I will address the many ways in which computation can specifically tackle system-specific challenges such as drug resistance and drug degradation. Theory, physics-based models, optimization methods, and phenomological larger-scale models can all be integrated into a multi-facted approach to better understand the action of current drugs and to design novel ones for the future.



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