Published
This talk presents a great opportunity for industrial scientists to get an overview of the current achievements in molecular simulations for medicinal chemistry. Learn about the latest developments of high-throughput molecular dynamics both in terms of applications and methodological advances. Examples will be given in the context of ACEMD, a highly efficient, best-in-class graphical processing units (GPUs) centric code for running MD simulations, and its protocols.
- Category
- Computing
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