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Scripps Research
- San Diego
- @diogo_stmart
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AD-GPU_set_of_42
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AutoDock-GPU
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AutoDock for GPUs using OpenCL
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SAMPL5-DC-surface-empirical
SAMPL5-DC-surface-empirical PublicEstimates (1) free energy of hydration, (2) free energy of solvation in cyclohexane and (3) cyclohexane/water partition coefficient.
Python
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