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Please also consider citing gmx_MMPBSA's paper:
Valdés-Tresanco, M.S., Valdés-Tresanco, M.E., Valiente, P.A. and Moreno E. gmx_MMPBSA: A New Tool to Perform End-State Free Energy Calculations with GROMACS. Journal of Chemical Theory and Computation, 2021 17 (10), 6281-6291. https://pubs.acs.org/doi/10.1021/acs.jctc.1c00645. Download | *.bib | *.ris
2023-07-08 2023-04-04