Leveraging Cloud Computing for In-Silico Drug Design Using the Quantum Molecular Design (QMD) Framework
Issue No. 04 - Jul./Aug. (2018 vol. 20)
Shahar Keinan , Cloud Pharmaceuticals
Elizabeth Hatcher Frush , Cloud Pharmaceuticals
William J. Shipman , Cloud Pharmaceuticals
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.
chemistry computing, cloud computing, computer aided analysis, drugs, heuristic programming, molecular biophysics, quantum computing, search problems
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.