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. 2020 Sep 3;16(10):6560–6574. doi: 10.1021/acs.jctc.0c00483

Scheme 2. (a–f)2D Representations of the H-Bond Formation Observed during MD Simulations.

Scheme 2

The first capital letter stands for the heavy atom in the H-donor group; the second capital letter stands for the heavy atom in the H-acceptor group.