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Exploring E-cadherin-peptidomimetics interaction using NMR and computational studies

Table 2

Populations of ligand-protein hydrogen bonds in MD simulations at 300 K (left) and 320 K (right) for compound 2 (neutral form).

The hydrogen bonds of the starting structure (binding mode A) are highlighted in bold.

doi: https://doi.org/10.1371/journal.pcbi.1007041.t002