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Gmx_qk: An Automated Protein/Protein–Ligand Complex Simulat..:

Singh, Harvinder ; Raja, Anupam ; Prakash, Ajay.
Journal of Chemical Information and Modeling.  63 (2023)  9 - p. 2603-2608 , 2023
Link: https://doi.org/10.1021/acs.jcim.3c00341