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"Binding-affinity predictions of HSP90 in the D3R Grand Challenge 2015 with ..."

Majda Misini Ignjatovic et al. (2016)

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DOI: 10.1007/S10822-016-9942-Z

access: open

type: Journal Article

metadata version: 2021-10-14

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Majda Misini Ignjatovic, Octav Caldararu, Geng Dong, Camila Muñoz-Gutiérrez, Francisco Adasme-Carreño, Ulf Ryde:
Binding-affinity predictions of HSP90 in the D3R Grand Challenge 2015 with docking, MM/GBSA, QM/MM, and free-energy simulations. J. Comput. Aided Mol. Des. 30(9): 707-730 (2016)

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