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"Identifying ligand binding sites and poses using GPU-accelerated ..."
Kai Wang et al. (2013)
- Kai Wang, John D. Chodera, Yanzhi Yang, Michael R. Shirts:
Identifying ligand binding sites and poses using GPU-accelerated Hamiltonian replica exchange molecular dynamics. J. Comput. Aided Mol. Des. 27(12): 989-1007 (2013)
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