"RestraintMaker: a graph-based approach to select distance restraints in ..."

Benjamin Ries et al. (2022)

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DOI: 10.1007/S10822-022-00445-6

access: open

type: Journal Article

metadata version: 2022-08-16

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Benjamin Ries, Salomé Rieder, Clemens Rhiner, Philippe H. Hünenberger, Sereina Riniker:
RestraintMaker: a graph-based approach to select distance restraints in free-energy calculations with dual topology. J. Comput. Aided Mol. Des. 36(3): 175-192 (2022)

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