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"Evaluating QM/MM Free Energy Surfaces for Ranking Cysteine Protease ..."
Clauber Henrique Costa et al. (2020)
- Clauber Henrique Costa
, Vinícius Bonatto
, Alberto M. dos Santos, Jerônimo Lameira
, Andrei Leitão
, Carlos Alberto Montanari
:
Evaluating QM/MM Free Energy Surfaces for Ranking Cysteine Protease Covalent Inhibitors. J. Chem. Inf. Model. 60(2): 880-889 (2020)
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