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"Monte Carlo on the manifold and MD refinement for binding pose prediction ..."
Mikhail Ignatov et al. (2019)
- Mikhail Ignatov, Cong Liu
, Andrey Alekseenko
, Zhuyezi Sun, Dzmitry Padhorny, Sergei Kotelnikov, Andrey M. Kazennov, Ivan Grebenkin, Yaroslav Kholodov
, Istvan Kolosvari, Alberto Pérez
, Ken A. Dill, Dima Kozakov
:
Monte Carlo on the manifold and MD refinement for binding pose prediction of protein-ligand complexes: 2017 D3R Grand Challenge. J. Comput. Aided Mol. Des. 33(1): 119-127 (2019)
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