"Assessing Metadynamics and Docking for Absolute Binding Free Energy ..."

Anastasia Saar et al. (2023)

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DOI: 10.1021/ACS.JCIM.3C01453

access: closed

type: Journal Article

metadata version: 2023-12-31

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  - https://dblp.org/rec/journals/jcisd/SaarGTJ23
Anastasia Saar, Mohammad Mehdi Ghahremanpour, Julian Tirado-Rives, William L. Jorgensen:
Assessing Metadynamics and Docking for Absolute Binding Free Energy Calculations Using Severe Acute Respiratory Syndrome Coronavirus 2 Main Protease Inhibitors. J. Chem. Inf. Model. 63(22): 7210-7218 (2023)

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