"Virtual Double-System Single-Box for Absolute Dissociation Free Energy ..."

Marina Macchiagodena et al. (2021)

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DOI: 10.1021/ACS.JCIM.1C00909

access: open

type: Journal Article

metadata version: 2023-09-30

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Marina Macchiagodena, Maurice Karrenbrock, Marco Pagliai, Piero Procacci:
Virtual Double-System Single-Box for Absolute Dissociation Free Energy Calculations in GROMACS. J. Chem. Inf. Model. 61(11): 5320-5326 (2021)

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