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Issue No. 04 - Jul./Aug. (2018 vol. 20)
ISSN: 1521-9615
pp: 66-73
Shahar Keinan , Cloud Pharmaceuticals
Elizabeth Hatcher Frush , Cloud Pharmaceuticals
William J. Shipman , Cloud Pharmaceuticals
ABSTRACT
The authors present quantum molecular design, a novel cost-saving automated framework for de novo computational drug design. This technology not only addresses many of the challenges faced in the computer-aided drug design field by using highly accurate physics-based models, it also dramatically lowers costs by leveraging an AI heuristic search algorithm with targeted chemical space.
INDEX TERMS
Cloud computing, Distributed computing, Drugs, Proteins, Artificial intelligence, Heuristic algorithms, Scientific computing, Biomedical engineering, Supercomputers
CITATION

S. Keinan, E. Hatcher Frush and W. J. Shipman, "Leveraging Cloud Computing for In-Silico Drug Design Using the Quantum Molecular Design (QMD) Framework," in Computing in Science & Engineering, vol. 20, no. 4, pp. 66-73, 2018.
doi:10.1109/MCSE.2018.042781327
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