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"GROMACS implementation of free energy calculations with non-pairwise ..."
Martin Reinhardt, Helmut Grubmüller (2021)
- Martin Reinhardt, Helmut Grubmüller:
GROMACS implementation of free energy calculations with non-pairwise Variationally derived Intermediates. Comput. Phys. Commun. 264: 107931 (2021)
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