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Open-Source Multi-GPU-Accelerated QM/MM Simulations with AMBER and QUICK

Vinícius Wilian D. Cruzeiro, Madushanka Manathunga, Kenneth M. Merz Jr., Andreas W. Götz. Open-Source Multi-GPU-Accelerated QM/MM Simulations with AMBER and QUICK. Journal of Chemical Information and Computer Sciences, 61(5):2109-2115, 2021. [doi]

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