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"Predicting the Relative Binding Affinity for Reversible Covalent ..."
Vinícius Bonatto et al. (2021)
- Vinícius Bonatto
, Anwar Shamim, Fernanda dos R. Rocho
, Andrei Leitão
, F. Javier Luque
, Jerônimo Lameira
, Carlos Alberto Montanari
:
Predicting the Relative Binding Affinity for Reversible Covalent Inhibitors by Free Energy Perturbation Calculations. J. Chem. Inf. Model. 61(9): 4733-4744 (2021)
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