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. Author manuscript; available in PMC: 2021 Feb 1.
Published in final edited form as: J Comput Aided Mol Des. 2020 Jan 23;34(2):99–119. doi: 10.1007/s10822-020-00289-y

Figure 1:

Figure 1:

Binding pose from the BACE_10 (A) and BACE_20 (B) co-crystal structures used in GC4