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- 2016
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Mark
Binding-affinity predictions of HSP90 in the D3R Grand Challenge 2015 with docking, MM/GBSA, QM/MM, and free-energy simulations
Misini Ignjatović, Majda ; Caldararu, Octav LU ; Dong, Geng LU ; Muñoz-Gutierrez, Camila ; Adasme-Carreño, Francisco and Ryde, Ulf LU
(2016)
In Journal of Computer-Aided Molecular Design
30(9).
p.707-730
- Contribution to journal › Article