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. Author manuscript; available in PMC: 2018 Nov 15.
Published in final edited form as: J Comput Chem. 2017 Sep 22;38(30):2641–2663. doi: 10.1002/jcc.25052

Figure 12.

Figure 12

(a) Co-crystallized cyclic urea inhibitor shown making key interactions (purple) with HIV Protease (PDB: 1DMP). (b,c) Top scoring de novo designed congeneric series of molecules.