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...The software requires no installation, leaves no system traces, and runs on any Windows system from Windows 7 onward. Users must operate powerMAX at their own risk, as the extreme loads can expose component flaws and potentially cause irreversible hardware damage.
A Docking Wrapper to Enhance De Novo Molecular Design
DockStream is a docking wrapper providing access to a collection of ligand embedders and docking backends. Docking execution and post hoc analysis can be automated via the benchmarking and analysis workflow. The flexilibity to specifiy a large variety of docking configurations allows tailored protocols for diverse end applications. DockStream can also parallelize docking across CPU cores, increasing throughput. DockStream is integrated with the de novo design platform, REINVENT, allowing one...