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GPU-Accelerated Molecular Dynamics Simulation

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Theoretical and Computational Chemistry

An Efficient Implementation of the Nwat-MMGBSA Method to Rescore Docking Results in Medium-Throughput Virtual Screenings

Irene Maffucci, Xiao Hu, Valentina Fumagalli, Alessandro Contini

Version 1 posted 11 September 2017

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